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Showing metabocard for CMP-N-glycoloylneuraminate (HMDB0012206)

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IdentificationTaxonomyOntologyPhysical propertiesSpectraBiological propertiesConcentrationsLinksReferencesenzymes (1) Show 1 proteinXML
enzymes (1) Show 1 protein
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2009-04-06 16:21:00 UTC
Update Date2021-09-14 15:48:15 UTC
HMDB IDHMDB0012206
Secondary Accession Numbers
  • HMDB12206
Metabolite Identification
Common NameCMP-N-glycoloylneuraminate
DescriptionCMP-N-glycoloylneuraminate, also known as CMP-N-glycoloylneuraminic acid, belongs to the class of organic compounds known as glycosylamines. Glycosylamines are compounds consisting of an amine with a beta-N-glycosidic bond to a carbohydrate, thus forming a cyclic hemiaminal ether bond (alpha-amino ether). CMP-N-glycoloylneuraminate has been detected, but not quantified in, a few different foods, such as anatidaes (Anatidae), chickens (Gallus gallus), and domestic pigs (Sus scrofa domestica). This could make CMP-N-glycoloylneuraminate a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on CMP-N-glycoloylneuraminate.
Structure
Data?1582753026
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0012206 (CMP-N-glycoloylneuraminate)


  Mrv0541 02241203502D          

 42 44  0  0  1  0            999 V2000
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    4.1499  -15.4331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7210  -15.4331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8960  -14.6081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4835  -15.3226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4835  -13.8936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3085  -13.8936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4354  -16.6706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8644  -15.8456    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8644  -16.6706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5788  -17.0831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5788  -17.9081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1499  -17.0831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8644  -14.1956    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    7.7223  -14.1956    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    8.1348  -14.9101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1012   -9.7763    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 41 34  2  0  0  0  0
 42 38  1  0  0  0  0
M  END
Download

3D MOL for HMDB0012206 (CMP-N-glycoloylneuraminate)

HMDB0012206
     RDKit          3D
CMP-N-glycoloylneuraminate
 73 75  0  0  0  0  0  0  0  0999 V2000
   12.0212    0.5245   -0.4026 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6396    0.2702   -0.1465 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7390    0.1567   -1.1943 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1454    0.1295    1.0967 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3561    1.1841   -1.1254 H   0  0  0  0  0  0  0  0  0  0  0  0
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 39 73  1  0
M  END
Download

3D SDF for HMDB0012206 (CMP-N-glycoloylneuraminate)


  Mrv0541 02241203502D          

 42 44  0  0  1  0            999 V2000
    4.1499  -14.6081    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1499  -15.4331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4354  -14.1956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4354  -15.8456    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7210  -14.6081    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7210  -15.4331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8960  -14.6081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4835  -15.3226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4835  -13.8936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3085  -13.8936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4354  -16.6706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8644  -15.8456    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8644  -16.6706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5788  -17.0831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5788  -17.9081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1499  -17.0831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0078  -14.6081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8657  -13.7831    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.9519  -12.9626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6194  -14.1187    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.7590  -12.7911    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.1715  -13.5056    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.0945  -12.0374    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6096  -11.3700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9150  -11.9511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9452  -10.6162    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2506  -11.1975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7657  -10.5300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7910  -14.9256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9919  -13.5918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7891  -11.4562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1012   -9.7763    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
  5  7  1  1  0  0  0
  5 10  1  6  0  0  0
  4 11  1  1  0  0  0
 12  2  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 13  2  0  0  0  0
  1 17  1  1  0  0  0
 18 17  1  0  0  0  0
 17 19  1  1  0  0  0
 18 20  1  6  0  0  0
 21 18  1  0  0  0  0
 22 21  1  0  0  0  0
 24 23  2  0  0  0  0
 25 23  1  0  0  0  0
 26 23  1  0  0  0  0
 22 23  1  0  0  0  0
 27 26  1  0  0  0  0
 29 28  1  0  0  0  0
 30 28  1  0  0  0  0
 31 29  1  0  0  0  0
 32 30  1  0  0  0  0
 32 31  1  0  0  0  0
 28 27  1  1  0  0  0
 34 33  1  0  0  0  0
 33 35  1  0  0  0  0
 36 34  1  0  0  0  0
 37 35  2  0  0  0  0
 38 36  2  0  0  0  0
 38 37  1  0  0  0  0
 31 33  1  1  0  0  0
 30 39  1  6  0  0  0
 32 40  1  6  0  0  0
 41 34  2  0  0  0  0
 42 38  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0012206

> <DATABASE_NAME>
hmdb

> <SMILES>
NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)OC[C@H](O)[C@H](O)[C@@H]2O[C@@](O)(C[C@H](O)C2NC(=O)CO)C(O)=O)[C@@H](O)[C@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C20H31N4O17P/c21-10-1-2-24(19(34)22-10)17-15(31)14(30)9(40-17)6-39-42(36,37)38-5-8(27)13(29)16-12(23-11(28)4-25)7(26)3-20(35,41-16)18(32)33/h1-2,7-9,12-17,25-27,29-31,35H,3-6H2,(H,23,28)(H,32,33)(H,36,37)(H2,21,22,34)/t7-,8-,9+,12?,13-,14+,15+,16+,17+,20-/m0/s1

> <INCHI_KEY>
AOOQVSNKZOZOHI-LBTQWYOJSA-N

> <FORMULA>
C20H31N4O17P

> <MOLECULAR_WEIGHT>
630.4505

> <EXACT_MASS>
630.142182098

> <JCHEM_ACCEPTOR_COUNT>
17

> <JCHEM_AVERAGE_POLARIZABILITY>
54.20226765690016

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
11

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,4S,6R)-6-[(1S,2S)-3-[({[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]-1,2-dihydroxypropyl]-2,4-dihydroxy-5-(2-hydroxyacetamido)oxane-2-carboxylic acid

> <ALOGPS_LOGP>
-2.89

> <JCHEM_LOGP>
-6.405731089333334

> <ALOGPS_LOGS>
-1.32

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
2.9576030007671292

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.8422131895896792

> <JCHEM_PKA_STRONGEST_BASIC>
-0.7667536507698663

> <JCHEM_POLAR_SURFACE_AREA>
340.91999999999996

> <JCHEM_REFRACTIVITY>
127.12229999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
12

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.99e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S,4S,6R)-6-[(1S,2S)-3-({[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy)-1,2-dihydroxypropyl]-2,4-dihydroxy-5-(2-hydroxyacetamido)oxane-2-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0012206 (CMP-N-glycoloylneuraminate)

HMDB0012206
     RDKit          3D
CMP-N-glycoloylneuraminate
 73 75  0  0  0  0  0  0  0  0999 V2000
   12.0212    0.5245   -0.4026 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6396    0.2702   -0.1465 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7390    0.1567   -1.1943 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3880   -0.0928   -0.9271 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9395   -0.2261    0.3332 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5721   -0.4815    0.6726 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7875   -0.8016   -0.4344 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5272   -0.9337    0.1628 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4129   -0.9555   -0.8540 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2206   -1.0871   -0.1808 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9154   -1.1182   -1.2819 P   0  0  0  0  0  5  0  0  0  0  0  0
    0.9290   -2.4613   -2.0036 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1487    0.1527   -2.3668 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5524   -0.9581   -0.4801 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9450    0.3641   -0.5063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2539    0.6086    0.1898 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1442    0.2277    1.5258 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4085   -0.0932   -0.4939 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.4615    0.3315   -1.8199 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6866    0.4035    0.1963 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.6657    0.0127    1.4668 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6104   -0.7385    2.0216 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.0893   -0.0470    3.1657 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9624   -1.9843    2.5666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9182   -2.2517    3.7941 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3719   -2.9129    1.7166 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8010   -1.1312    1.2497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5000   -1.2713   -0.2101 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.7057   -2.3601   -0.4822 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8766    0.0443   -0.6330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9015    1.0617   -0.4982 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4519    1.7587   -1.5931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0463    1.4983   -2.7473 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4936    2.7837   -1.3861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9024    3.3515   -2.5918 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3926    0.3340    1.0089 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8889    0.0243    2.2569 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8521    0.7689    1.1777 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1650    1.0389    2.4917 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8330   -0.1115    1.3242 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4758   -0.2263    2.5285 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1454    0.1295    1.0967 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3561    1.1841   -1.1254 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7388    0.0261    0.1610 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1215    0.2668   -2.1865 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7057   -0.1777   -1.7470 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5111   -1.2870    1.4137 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4897   -1.8429    0.7983 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6197   -1.8252   -1.5354 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4356   -0.0048   -1.4231 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5146    0.9076   -1.8754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0087    0.7742   -1.5308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1757    0.9633    0.0227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4434    1.7016    0.1786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2463    0.3437    1.8903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3221   -1.1777   -0.4751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2177    1.2952   -1.8998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5987    1.5277    0.1550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2839    0.2845    3.6681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4047   -3.1973    1.8017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1524   -2.1436    1.6020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6752   -0.4669    1.4124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4815   -1.3302   -0.7582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2825   -3.0510   -0.9191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6279   -0.0665   -1.7134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2437    1.2839    0.4594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1844    3.5709   -0.6702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4169    2.3235   -0.9293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6031    2.7919   -2.9662 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8011    1.0941    0.4650 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1319   -0.9054    2.4708 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0832    1.6051    0.4841 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6148    1.9301    2.5234 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 11 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  1
 22 24  1  0
 24 25  2  0
 24 26  1  0
 22 27  1  0
 27 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  2  0
 32 34  1  0
 34 35  1  0
  8 36  1  0
 36 37  1  0
 36 38  1  0
 38 39  1  0
  5 40  1  0
 40 41  2  0
 40 42  1  0
 42  2  2  0
 38  6  1  0
 30 20  1  0
  1 43  1  0
  1 44  1  0
  3 45  1  0
  4 46  1  0
  6 47  1  1
  8 48  1  1
  9 49  1  0
  9 50  1  0
 13 51  1  0
 15 52  1  0
 15 53  1  0
 16 54  1  1
 17 55  1  0
 18 56  1  6
 19 57  1  0
 20 58  1  1
 23 59  1  0
 26 60  1  0
 27 61  1  0
 27 62  1  0
 28 63  1  6
 29 64  1  0
 30 65  1  0
 31 66  1  0
 34 67  1  0
 34 68  1  0
 35 69  1  0
 36 70  1  6
 37 71  1  0
 38 72  1  6
 39 73  1  0
M  END
Download

PDB for HMDB0012206 (CMP-N-glycoloylneuraminate)

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0       7.746 -27.268   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       7.746 -28.808   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       6.413 -26.498   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0       6.413 -29.578   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.079 -27.268   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.079 -28.808   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       3.539 -27.268   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       2.769 -28.602   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0       2.769 -25.935   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0       4.309 -25.935   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0       6.413 -31.118   0.000  0.00  0.00           O+0
HETATM   12  N   UNK     0       9.080 -29.578   0.000  0.00  0.00           N+0
HETATM   13  C   UNK     0       9.080 -31.118   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      10.414 -31.888   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      10.414 -33.428   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0       7.746 -31.888   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       9.080 -26.498   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      10.414 -27.268   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       9.080 -24.958   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      10.414 -28.808   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      11.747 -26.498   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      13.081 -27.268   0.000  0.00  0.00           O+0
HETATM   23  P   UNK     0      14.415 -26.498   0.000  0.00  0.00           P+0
HETATM   24  O   UNK     0      15.185 -27.832   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0      13.645 -25.165   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0      15.749 -25.728   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0      17.082 -26.498   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      18.416 -25.728   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      18.577 -24.197   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0      19.823 -26.355   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      20.083 -23.877   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      20.853 -25.210   0.000  0.00  0.00           C+0
HETATM   33  N   UNK     0      20.710 -22.470   0.000  0.00  0.00           N+0
HETATM   34  C   UNK     0      19.805 -21.224   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      22.241 -22.309   0.000  0.00  0.00           C+0
HETATM   36  N   UNK     0      20.431 -19.817   0.000  0.00  0.00           N+0
HETATM   37  C   UNK     0      22.868 -20.902   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      21.963 -19.656   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0      20.143 -27.861   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0      22.385 -25.371   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0      18.273 -21.385   0.000  0.00  0.00           O+0
HETATM   42  N   UNK     0      22.589 -18.249   0.000  0.00  0.00           N+0
CONECT    1    2    3   17                                                  
CONECT    2    1    4   12                                                  
CONECT    3    1    5                                                       
CONECT    4    2    6   11                                                  
CONECT    5    3    6    7   10                                             
CONECT    6    4    5                                                       
CONECT    7    8    9    5                                                  
CONECT    8    7                                                            
CONECT    9    7                                                            
CONECT   10    5                                                            
CONECT   11    4                                                            
CONECT   12    2   13                                                       
CONECT   13   12   14   16                                                  
CONECT   14   13   15                                                       
CONECT   15   14                                                            
CONECT   16   13                                                            
CONECT   17    1   18   19                                                  
CONECT   18   17   20   21                                                  
CONECT   19   17                                                            
CONECT   20   18                                                            
CONECT   21   18   22                                                       
CONECT   22   21   23                                                       
CONECT   23   24   25   26   22                                             
CONECT   24   23                                                            
CONECT   25   23                                                            
CONECT   26   23   27                                                       
CONECT   27   26   28                                                       
CONECT   28   29   30   27                                                  
CONECT   29   28   31                                                       
CONECT   30   28   32   39                                                  
CONECT   31   29   32   33                                                  
CONECT   32   30   31   40                                                  
CONECT   33   34   35   31                                                  
CONECT   34   33   36   41                                                  
CONECT   35   33   37                                                       
CONECT   36   34   38                                                       
CONECT   37   35   38                                                       
CONECT   38   36   37   42                                                  
CONECT   39   30                                                            
CONECT   40   32                                                            
CONECT   41   34                                                            
CONECT   42   38                                                            
MASTER        0    0    0    0    0    0    0    0   42    0   88    0
END
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3D PDB for HMDB0012206 (CMP-N-glycoloylneuraminate)

COMPND    HMDB0012206
HETATM    1  N1  UNL     1      12.021   0.524  -0.403  1.00  0.00           N  
HETATM    2  C1  UNL     1      10.640   0.270  -0.147  1.00  0.00           C  
HETATM    3  C2  UNL     1       9.739   0.157  -1.194  1.00  0.00           C  
HETATM    4  C3  UNL     1       8.388  -0.093  -0.927  1.00  0.00           C  
HETATM    5  N2  UNL     1       7.940  -0.226   0.333  1.00  0.00           N  
HETATM    6  C4  UNL     1       6.572  -0.481   0.673  1.00  0.00           C  
HETATM    7  O1  UNL     1       5.788  -0.802  -0.434  1.00  0.00           O  
HETATM    8  C5  UNL     1       4.527  -0.934   0.163  1.00  0.00           C  
HETATM    9  C6  UNL     1       3.413  -0.955  -0.854  1.00  0.00           C  
HETATM   10  O2  UNL     1       2.221  -1.087  -0.181  1.00  0.00           O  
HETATM   11  P1  UNL     1       0.915  -1.118  -1.282  1.00  0.00           P  
HETATM   12  O3  UNL     1       0.929  -2.461  -2.004  1.00  0.00           O  
HETATM   13  O4  UNL     1       1.149   0.153  -2.367  1.00  0.00           O  
HETATM   14  O5  UNL     1      -0.552  -0.958  -0.480  1.00  0.00           O  
HETATM   15  C7  UNL     1      -0.945   0.364  -0.506  1.00  0.00           C  
HETATM   16  C8  UNL     1      -2.254   0.609   0.190  1.00  0.00           C  
HETATM   17  O6  UNL     1      -2.144   0.228   1.526  1.00  0.00           O  
HETATM   18  C9  UNL     1      -3.409  -0.093  -0.494  1.00  0.00           C  
HETATM   19  O7  UNL     1      -3.461   0.332  -1.820  1.00  0.00           O  
HETATM   20  C10 UNL     1      -4.687   0.403   0.196  1.00  0.00           C  
HETATM   21  O8  UNL     1      -4.666   0.013   1.467  1.00  0.00           O  
HETATM   22  C11 UNL     1      -5.610  -0.738   2.022  1.00  0.00           C  
HETATM   23  O9  UNL     1      -6.089  -0.047   3.166  1.00  0.00           O  
HETATM   24  C12 UNL     1      -4.962  -1.984   2.567  1.00  0.00           C  
HETATM   25  O10 UNL     1      -4.918  -2.252   3.794  1.00  0.00           O  
HETATM   26  O11 UNL     1      -4.372  -2.913   1.717  1.00  0.00           O  
HETATM   27  C13 UNL     1      -6.801  -1.131   1.250  1.00  0.00           C  
HETATM   28  C14 UNL     1      -6.500  -1.271  -0.210  1.00  0.00           C  
HETATM   29  O12 UNL     1      -5.706  -2.360  -0.482  1.00  0.00           O  
HETATM   30  C15 UNL     1      -5.877   0.044  -0.633  1.00  0.00           C  
HETATM   31  N3  UNL     1      -6.902   1.062  -0.498  1.00  0.00           N  
HETATM   32  C16 UNL     1      -7.452   1.759  -1.593  1.00  0.00           C  
HETATM   33  O13 UNL     1      -7.046   1.498  -2.747  1.00  0.00           O  
HETATM   34  C17 UNL     1      -8.494   2.784  -1.386  1.00  0.00           C  
HETATM   35  O14 UNL     1      -8.902   3.351  -2.592  1.00  0.00           O  
HETATM   36  C18 UNL     1       4.393   0.334   1.009  1.00  0.00           C  
HETATM   37  O15 UNL     1       3.889   0.024   2.257  1.00  0.00           O  
HETATM   38  C19 UNL     1       5.852   0.769   1.178  1.00  0.00           C  
HETATM   39  O16 UNL     1       6.165   1.039   2.492  1.00  0.00           O  
HETATM   40  C20 UNL     1       8.833  -0.111   1.324  1.00  0.00           C  
HETATM   41  O17 UNL     1       8.476  -0.226   2.528  1.00  0.00           O  
HETATM   42  N4  UNL     1      10.145   0.130   1.097  1.00  0.00           N  
HETATM   43  H1  UNL     1      12.356   1.184  -1.125  1.00  0.00           H  
HETATM   44  H2  UNL     1      12.739   0.026   0.161  1.00  0.00           H  
HETATM   45  H3  UNL     1      10.122   0.267  -2.186  1.00  0.00           H  
HETATM   46  H4  UNL     1       7.706  -0.178  -1.747  1.00  0.00           H  
HETATM   47  H5  UNL     1       6.511  -1.287   1.414  1.00  0.00           H  
HETATM   48  H6  UNL     1       4.490  -1.843   0.798  1.00  0.00           H  
HETATM   49  H7  UNL     1       3.620  -1.825  -1.535  1.00  0.00           H  
HETATM   50  H8  UNL     1       3.436  -0.005  -1.423  1.00  0.00           H  
HETATM   51  H9  UNL     1       1.515   0.908  -1.875  1.00  0.00           H  
HETATM   52  H10 UNL     1      -1.009   0.774  -1.531  1.00  0.00           H  
HETATM   53  H11 UNL     1      -0.176   0.963   0.023  1.00  0.00           H  
HETATM   54  H12 UNL     1      -2.443   1.702   0.179  1.00  0.00           H  
HETATM   55  H13 UNL     1      -1.246   0.344   1.890  1.00  0.00           H  
HETATM   56  H14 UNL     1      -3.322  -1.178  -0.475  1.00  0.00           H  
HETATM   57  H15 UNL     1      -3.218   1.295  -1.900  1.00  0.00           H  
HETATM   58  H16 UNL     1      -4.599   1.528   0.155  1.00  0.00           H  
HETATM   59  H17 UNL     1      -5.284   0.285   3.668  1.00  0.00           H  
HETATM   60  H18 UNL     1      -3.405  -3.197   1.802  1.00  0.00           H  
HETATM   61  H19 UNL     1      -7.152  -2.144   1.602  1.00  0.00           H  
HETATM   62  H20 UNL     1      -7.675  -0.467   1.412  1.00  0.00           H  
HETATM   63  H21 UNL     1      -7.482  -1.330  -0.758  1.00  0.00           H  
HETATM   64  H22 UNL     1      -6.282  -3.051  -0.919  1.00  0.00           H  
HETATM   65  H23 UNL     1      -5.628  -0.066  -1.713  1.00  0.00           H  
HETATM   66  H24 UNL     1      -7.244   1.284   0.459  1.00  0.00           H  
HETATM   67  H25 UNL     1      -8.184   3.571  -0.670  1.00  0.00           H  
HETATM   68  H26 UNL     1      -9.417   2.324  -0.929  1.00  0.00           H  
HETATM   69  H27 UNL     1      -9.603   2.792  -2.966  1.00  0.00           H  
HETATM   70  H28 UNL     1       3.801   1.094   0.465  1.00  0.00           H  
HETATM   71  H29 UNL     1       4.132  -0.905   2.471  1.00  0.00           H  
HETATM   72  H30 UNL     1       6.083   1.605   0.484  1.00  0.00           H  
HETATM   73  H31 UNL     1       6.615   1.930   2.523  1.00  0.00           H  
CONECT    1    2   43   44
CONECT    2    3   42   42
CONECT    3    4    4   45
CONECT    4    5   46
CONECT    5    6   40
CONECT    6    7   38   47
CONECT    7    8
CONECT    8    9   36   48
CONECT    9   10   49   50
CONECT   10   11
CONECT   11   12   12   13   14
CONECT   13   51
CONECT   14   15
CONECT   15   16   52   53
CONECT   16   17   18   54
CONECT   17   55
CONECT   18   19   20   56
CONECT   19   57
CONECT   20   21   30   58
CONECT   21   22
CONECT   22   23   24   27
CONECT   23   59
CONECT   24   25   25   26
CONECT   26   60
CONECT   27   28   61   62
CONECT   28   29   30   63
CONECT   29   64
CONECT   30   31   65
CONECT   31   32   66
CONECT   32   33   33   34
CONECT   34   35   67   68
CONECT   35   69
CONECT   36   37   38   70
CONECT   37   71
CONECT   38   39   72
CONECT   39   73
CONECT   40   41   41   42
END
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SMILES for HMDB0012206 (CMP-N-glycoloylneuraminate)

NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)OC[C@H](O)[C@H](O)[C@@H]2O[C@@](O)(C[C@H](O)C2NC(=O)CO)C(O)=O)[C@@H](O)[C@H]1O
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INCHI for HMDB0012206 (CMP-N-glycoloylneuraminate)

InChI=1S/C20H31N4O17P/c21-10-1-2-24(19(34)22-10)17-15(31)14(30)9(40-17)6-39-42(36,37)38-5-8(27)13(29)16-12(23-11(28)4-25)7(26)3-20(35,41-16)18(32)33/h1-2,7-9,12-17,25-27,29-31,35H,3-6H2,(H,23,28)(H,32,33)(H,36,37)(H2,21,22,34)/t7-,8-,9+,12?,13-,14+,15+,16+,17+,20-/m0/s1
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
CMP-N-Glycoloylneuraminic acidGenerator
(2R,4S,5R,6R)-2-[({[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphinato)oxy]-4-hydroxy-5-(2-hydroxyacetamido)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylateHMDB
CMP-N-GlycolylneuraminateHMDB
CMP-N-Glycolylneuraminic acidHMDB
CMP-Neu5GCHMDB
CMP-NeungcHMDB
Cytidine monophosphate-N-glycoloylneuraminic acidHMDB
(2S,4S,6R)-6-[(1S,2S)-3-[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]-1,2-dihydroxypropyl]-5-[(1,2-dihydroxyethylidene)amino]-2,4-dihydroxyoxane-2-carboxylateGenerator, HMDB
Chemical FormulaC20H31N4O17P
Average Molecular Weight630.4505
Monoisotopic Molecular Weight630.142182098
IUPAC Name(2S,4S,6R)-6-[(1S,2S)-3-[({[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]-1,2-dihydroxypropyl]-2,4-dihydroxy-5-(2-hydroxyacetamido)oxane-2-carboxylic acid
Traditional Name(2S,4S,6R)-6-[(1S,2S)-3-({[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy)-1,2-dihydroxypropyl]-2,4-dihydroxy-5-(2-hydroxyacetamido)oxane-2-carboxylic acid
CAS Registry Number98300-80-2
SMILES
NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)OC[C@H](O)[C@H](O)[C@@H]2O[C@@](O)(C[C@H](O)C2NC(=O)CO)C(O)=O)[C@@H](O)[C@H]1O
InChI Identifier
InChI=1S/C20H31N4O17P/c21-10-1-2-24(19(34)22-10)17-15(31)14(30)9(40-17)6-39-42(36,37)38-5-8(27)13(29)16-12(23-11(28)4-25)7(26)3-20(35,41-16)18(32)33/h1-2,7-9,12-17,25-27,29-31,35H,3-6H2,(H,23,28)(H,32,33)(H,36,37)(H2,21,22,34)/t7-,8-,9+,12?,13-,14+,15+,16+,17+,20-/m0/s1
InChI KeyAOOQVSNKZOZOHI-LBTQWYOJSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as glycosylamines. Glycosylamines are compounds consisting of an amine with a beta-N-glycosidic bond to a carbohydrate, thus forming a cyclic hemiaminal ether bond (alpha-amino ether).
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentGlycosylamines
Alternative Parents
Substituents
  • Hexose monosaccharide
  • N-glycosyl compound
  • 6-alkylaminopurine
  • 6-aminopurine
  • Purine
  • Imidazopyrimidine
  • Aminopyrimidine
  • Imidolactam
  • Pyrimidine
  • Monosaccharide
  • Oxane
  • N-substituted imidazole
  • Heteroaromatic compound
  • Azole
  • Imidazole
  • Secondary alcohol
  • Polyol
  • Organoheterocyclic compound
  • Azacycle
  • Oxacycle
  • Primary alcohol
  • Hydrocarbon derivative
  • Organic nitrogen compound
  • Alcohol
  • Amine
  • Organonitrogen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Not AvailableNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility29.9 g/LALOGPS
logP-2.9ALOGPS
logP-6.4ChemAxon
logS-1.3ALOGPS
pKa (Strongest Acidic)1.84ChemAxon
pKa (Strongest Basic)-0.77ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count17ChemAxon
Hydrogen Donor Count11ChemAxon
Polar Surface Area340.92 ŲChemAxon
Rotatable Bond Count12ChemAxon
Refractivity127.12 m³·mol⁻¹ChemAxon
Polarizability54.2 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+210.830932474
DeepCCS[M-H]-208.9730932474
DeepCCS[M-2H]-242.65230932474
DeepCCS[M+Na]+216.43630932474
AllCCS[M+H]+229.432859911
AllCCS[M+H-H2O]+228.432859911
AllCCS[M+NH4]+230.332859911
AllCCS[M+Na]+230.632859911
AllCCS[M-H]-227.632859911
AllCCS[M+Na-2H]-229.132859911
AllCCS[M+HCOO]-230.932859911

Predicted Retention Times

Underivatized

Chromatographic MethodRetention TimeReference
Measured using a Waters Acquity ultraperformance liquid chromatography (UPLC) ethylene-bridged hybrid (BEH) C18 column (100 mm × 2.1 mm; 1.7 μmparticle diameter). Predicted by Afia on May 17, 2022. Predicted by Afia on May 17, 2022.2.28 minutes32390414
Predicted by Siyang on May 30, 202211.6436 minutes33406817
Predicted by Siyang using ReTip algorithm on June 8, 20229.8 minutes32390414
AjsUoB = Accucore 150 Amide HILIC with 10mM Ammonium Formate, 0.1% Formic Acid541.4 seconds40023050
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid516.2 seconds40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid228.5 seconds40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid29.2 seconds40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid184.1 seconds40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid78.7 seconds40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid364.6 seconds40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid299.2 seconds40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)1142.4 seconds40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid630.1 seconds40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid72.2 seconds40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid898.5 seconds40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid234.3 seconds40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid384.9 seconds40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate775.5 seconds40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA620.4 seconds40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water692.9 seconds40023050

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
CMP-N-glycoloylneuraminateNC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)OC[C@H](O)[C@H](O)[C@@H]2O[C@@](O)(C[C@H](O)C2NC(=O)CO)C(O)=O)[C@@H](O)[C@H]1O4865.7Standard polar33892256
CMP-N-glycoloylneuraminateNC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)OC[C@H](O)[C@H](O)[C@@H]2O[C@@](O)(C[C@H](O)C2NC(=O)CO)C(O)=O)[C@@H](O)[C@H]1O3935.0Standard non polar33892256
CMP-N-glycoloylneuraminateNC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)OC[C@H](O)[C@H](O)[C@@H]2O[C@@](O)(C[C@H](O)C2NC(=O)CO)C(O)=O)[C@@H](O)[C@H]1O5653.4Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
CMP-N-glycoloylneuraminate,1TMS,isomer #1C[Si](C)(C)O[C@@H](COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)[C@H](O)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O)C1NC(=O)CO5028.6Semi standard non polar33892256
CMP-N-glycoloylneuraminate,1TMS,isomer #10C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OC[C@H](O)[C@H](O)[C@@H]3O[C@](O)(C(=O)O)C[C@H](O)C3NC(=O)CO)[C@@H](O)[C@H]2O)C=C15119.4Semi standard non polar33892256
CMP-N-glycoloylneuraminate,1TMS,isomer #11C[Si](C)(C)N(C(=O)CO)C1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1[C@@H](O)[C@@H](O)COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O4951.7Semi standard non polar33892256
CMP-N-glycoloylneuraminate,1TMS,isomer #2C[Si](C)(C)O[C@@H]([C@@H](O)COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O)C1NC(=O)CO5029.4Semi standard non polar33892256
CMP-N-glycoloylneuraminate,1TMS,isomer #3C[Si](C)(C)O[C@@]1(C(=O)O)C[C@H](O)C(NC(=O)CO)[C@H]([C@@H](O)[C@@H](O)COP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O15003.0Semi standard non polar33892256
CMP-N-glycoloylneuraminate,1TMS,isomer #4C[Si](C)(C)O[C@H]1C[C@@](O)(C(=O)O)O[C@@H]([C@@H](O)[C@@H](O)COP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)C1NC(=O)CO5010.6Semi standard non polar33892256
CMP-N-glycoloylneuraminate,1TMS,isomer #5C[Si](C)(C)OCC(=O)NC1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1[C@@H](O)[C@@H](O)COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O4981.7Semi standard non polar33892256
CMP-N-glycoloylneuraminate,1TMS,isomer #6C[Si](C)(C)OC(=O)[C@]1(O)C[C@H](O)C(NC(=O)CO)[C@H]([C@@H](O)[C@@H](O)COP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O14940.4Semi standard non polar33892256
CMP-N-glycoloylneuraminate,1TMS,isomer #7C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OC[C@H](O)[C@H](O)[C@@H]2O[C@](O)(C(=O)O)C[C@H](O)C2NC(=O)CO)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O4985.8Semi standard non polar33892256
CMP-N-glycoloylneuraminate,1TMS,isomer #8C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OC[C@H](O)[C@H](O)[C@@H]2O[C@](O)(C(=O)O)C[C@H](O)C2NC(=O)CO)O[C@H]1N1C=CC(N)=NC1=O4972.9Semi standard non polar33892256
CMP-N-glycoloylneuraminate,1TMS,isomer #9C[Si](C)(C)OP(=O)(OC[C@H](O)[C@H](O)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O)C1NC(=O)CO)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O5076.4Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TMS,isomer #1C[Si](C)(C)O[C@@H](COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O)[C@H](O)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O)C1NC(=O)CO4846.6Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TMS,isomer #10C[Si](C)(C)O[C@@H](COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)[C@H](O)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O)C1N(C(=O)CO)[Si](C)(C)C4822.8Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TMS,isomer #11C[Si](C)(C)O[C@@H]([C@@H](O)COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O)C1NC(=O)CO4846.6Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TMS,isomer #12C[Si](C)(C)O[C@@H]([C@@H](O)COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O[Si](C)(C)C)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O)C1NC(=O)CO4862.6Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TMS,isomer #13C[Si](C)(C)O[C@@H]([C@@H](O)COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)[C@@H]1O[C@](O[Si](C)(C)C)(C(=O)O)C[C@H](O)C1NC(=O)CO4858.9Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TMS,isomer #14C[Si](C)(C)OC(=O)[C@]1(O)C[C@H](O)C(NC(=O)CO)[C@H]([C@@H](O[Si](C)(C)C)[C@@H](O)COP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O14813.8Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TMS,isomer #15C[Si](C)(C)O[C@H]1C[C@@](O)(C(=O)O)O[C@@H]([C@@H](O[Si](C)(C)C)[C@@H](O)COP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)C1NC(=O)CO4856.7Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TMS,isomer #16C[Si](C)(C)OCC(=O)NC1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1[C@@H](O[Si](C)(C)C)[C@@H](O)COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O4845.7Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TMS,isomer #17C[Si](C)(C)O[C@@H]([C@@H](O)COP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O)C1NC(=O)CO4926.4Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TMS,isomer #18C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OC[C@H](O)[C@H](O[Si](C)(C)C)[C@@H]3O[C@](O)(C(=O)O)C[C@H](O)C3NC(=O)CO)[C@@H](O)[C@H]2O)C=C15027.0Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TMS,isomer #19C[Si](C)(C)O[C@@H]([C@@H](O)COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O)C1N(C(=O)CO)[Si](C)(C)C4819.8Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TMS,isomer #2C[Si](C)(C)O[C@@H](COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O[Si](C)(C)C)[C@H](O)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O)C1NC(=O)CO4865.1Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TMS,isomer #20C[Si](C)(C)OC(=O)[C@]1(O[Si](C)(C)C)C[C@H](O)C(NC(=O)CO)[C@H]([C@@H](O)[C@@H](O)COP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O14780.1Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TMS,isomer #21C[Si](C)(C)O[C@H]1C[C@@](O[Si](C)(C)C)(C(=O)O)O[C@@H]([C@@H](O)[C@@H](O)COP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)C1NC(=O)CO4856.7Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TMS,isomer #22C[Si](C)(C)OCC(=O)NC1[C@@H](O)C[C@@](O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@@H](O)[C@@H](O)COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O4840.9Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TMS,isomer #23C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OC[C@H](O)[C@H](O)[C@@H]2O[C@](O[Si](C)(C)C)(C(=O)O)C[C@H](O)C2NC(=O)CO)O[C@H]1N1C=CC(N)=NC1=O4826.5Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TMS,isomer #24C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OC[C@H](O)[C@H](O)[C@@H]2O[C@](O[Si](C)(C)C)(C(=O)O)C[C@H](O)C2NC(=O)CO)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O4843.4Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TMS,isomer #25C[Si](C)(C)O[C@@]1(C(=O)O)C[C@H](O)C(NC(=O)CO)[C@H]([C@@H](O)[C@@H](O)COP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O14915.9Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TMS,isomer #26C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OC[C@H](O)[C@H](O)[C@@H]3O[C@](O[Si](C)(C)C)(C(=O)O)C[C@H](O)C3NC(=O)CO)[C@@H](O)[C@H]2O)C=C14994.8Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TMS,isomer #27C[Si](C)(C)O[C@@]1(C(=O)O)C[C@H](O)C(N(C(=O)CO)[Si](C)(C)C)[C@H]([C@@H](O)[C@@H](O)COP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O14812.5Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TMS,isomer #28C[Si](C)(C)OC(=O)[C@]1(O)C[C@H](O[Si](C)(C)C)C(NC(=O)CO)[C@H]([C@@H](O)[C@@H](O)COP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O14776.7Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TMS,isomer #29C[Si](C)(C)O[C@H]1C[C@@](O)(C(=O)O)O[C@@H]([C@@H](O)[C@@H](O)COP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)C1NC(=O)CO4827.2Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TMS,isomer #3C[Si](C)(C)O[C@@H](COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)[C@H](O[Si](C)(C)C)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O)C1NC(=O)CO4901.3Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TMS,isomer #30C[Si](C)(C)O[C@H]1C[C@@](O)(C(=O)O)O[C@@H]([C@@H](O)[C@@H](O)COP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)C1NC(=O)CO4846.2Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TMS,isomer #31C[Si](C)(C)OCC(=O)NC1[C@@H](O[Si](C)(C)C)C[C@@](O)(C(=O)O)O[C@H]1[C@@H](O)[C@@H](O)COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O4834.7Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TMS,isomer #32C[Si](C)(C)O[C@H]1C[C@@](O)(C(=O)O)O[C@@H]([C@@H](O)[C@@H](O)COP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)C1NC(=O)CO4903.9Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TMS,isomer #33C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OC[C@H](O)[C@H](O)[C@@H]3O[C@](O)(C(=O)O)C[C@H](O[Si](C)(C)C)C3NC(=O)CO)[C@@H](O)[C@H]2O)C=C15005.8Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TMS,isomer #34C[Si](C)(C)O[C@H]1C[C@@](O)(C(=O)O)O[C@@H]([C@@H](O)[C@@H](O)COP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)C1N(C(=O)CO)[Si](C)(C)C4836.8Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TMS,isomer #35C[Si](C)(C)OCC(=O)NC1[C@@H](O)C[C@@](O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@@H](O)[C@@H](O)COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O4752.7Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TMS,isomer #36C[Si](C)(C)OCC(=O)NC1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1[C@@H](O)[C@@H](O)COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O4787.9Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TMS,isomer #37C[Si](C)(C)OCC(=O)NC1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1[C@@H](O)[C@@H](O)COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O[Si](C)(C)C4809.7Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TMS,isomer #38C[Si](C)(C)OCC(=O)NC1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1[C@@H](O)[C@@H](O)COP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C4884.1Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TMS,isomer #39C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OC[C@H](O)[C@H](O)[C@@H]3O[C@](O)(C(=O)O)C[C@H](O)C3NC(=O)CO[Si](C)(C)C)[C@@H](O)[C@H]2O)C=C15002.0Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TMS,isomer #4C[Si](C)(C)O[C@@H](COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)[C@H](O)[C@@H]1O[C@](O[Si](C)(C)C)(C(=O)O)C[C@H](O)C1NC(=O)CO4885.0Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TMS,isomer #40C[Si](C)(C)OCC(=O)N(C1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1[C@@H](O)[C@@H](O)COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)[Si](C)(C)C4837.5Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TMS,isomer #41C[Si](C)(C)OC(=O)[C@]1(O)C[C@H](O)C(NC(=O)CO)[C@H]([C@@H](O)[C@@H](O)COP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)O14756.2Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TMS,isomer #42C[Si](C)(C)OC(=O)[C@]1(O)C[C@H](O)C(NC(=O)CO)[C@H]([C@@H](O)[C@@H](O)COP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)O14772.6Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TMS,isomer #43C[Si](C)(C)OC(=O)[C@]1(O)C[C@H](O)C(NC(=O)CO)[C@H]([C@@H](O)[C@@H](O)COP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O14856.8Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TMS,isomer #44C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OC[C@H](O)[C@H](O)[C@@H]3O[C@](O)(C(=O)O[Si](C)(C)C)C[C@H](O)C3NC(=O)CO)[C@@H](O)[C@H]2O)C=C14944.5Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TMS,isomer #45C[Si](C)(C)OC(=O)[C@]1(O)C[C@H](O)C(N(C(=O)CO)[Si](C)(C)C)[C@H]([C@@H](O)[C@@H](O)COP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O14737.6Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TMS,isomer #46C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OC[C@H](O)[C@H](O)[C@@H]2O[C@](O)(C(=O)O)C[C@H](O)C2NC(=O)CO)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O[Si](C)(C)C4815.6Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TMS,isomer #47C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(OC[C@H](O)[C@H](O)[C@@H]2O[C@](O)(C(=O)O)C[C@H](O)C2NC(=O)CO)O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O4887.1Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TMS,isomer #48C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OC[C@H](O)[C@H](O)[C@@H]3O[C@](O)(C(=O)O)C[C@H](O)C3NC(=O)CO)[C@@H](O[Si](C)(C)C)[C@H]2O)C=C14987.6Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TMS,isomer #49C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OC[C@H](O)[C@H](O)[C@@H]2O[C@](O)(C(=O)O)C[C@H](O)C2N(C(=O)CO)[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O4783.4Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TMS,isomer #5C[Si](C)(C)OC(=O)[C@]1(O)C[C@H](O)C(NC(=O)CO)[C@H]([C@@H](O)[C@H](COP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O14810.3Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TMS,isomer #50C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(OC[C@H](O)[C@H](O)[C@@H]2O[C@](O)(C(=O)O)C[C@H](O)C2NC(=O)CO)O[Si](C)(C)C)O[C@H]1N1C=CC(N)=NC1=O4872.1Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TMS,isomer #51C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OC[C@H](O)[C@H](O)[C@@H]3O[C@](O)(C(=O)O)C[C@H](O)C3NC(=O)CO)[C@@H](O)[C@H]2O[Si](C)(C)C)C=C14977.9Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TMS,isomer #52C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OC[C@H](O)[C@H](O)[C@@H]2O[C@](O)(C(=O)O)C[C@H](O)C2N(C(=O)CO)[Si](C)(C)C)O[C@H]1N1C=CC(N)=NC1=O4774.0Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TMS,isomer #53C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(OC[C@H](O)[C@H](O)[C@@H]3O[C@](O)(C(=O)O)C[C@H](O)C3NC(=O)CO)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=C15043.5Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TMS,isomer #54C[Si](C)(C)OP(=O)(OC[C@H](O)[C@H](O)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O)C1N(C(=O)CO)[Si](C)(C)C)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O4843.0Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TMS,isomer #55C[Si](C)(C)N(C1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OC[C@H](O)[C@H](O)[C@@H]3O[C@](O)(C(=O)O)C[C@H](O)C3NC(=O)CO)[C@@H](O)[C@H]2O)C=C1)[Si](C)(C)C4915.6Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TMS,isomer #56C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OC[C@H](O)[C@H](O)[C@@H]3O[C@](O)(C(=O)O)C[C@H](O)C3N(C(=O)CO)[Si](C)(C)C)[C@@H](O)[C@H]2O)C=C14985.2Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TMS,isomer #6C[Si](C)(C)O[C@H]1C[C@@](O)(C(=O)O)O[C@@H]([C@@H](O)[C@H](COP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)C1NC(=O)CO4889.8Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TMS,isomer #7C[Si](C)(C)OCC(=O)NC1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1[C@@H](O)[C@H](COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C4842.6Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TMS,isomer #8C[Si](C)(C)O[C@@H](COP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C)[C@H](O)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O)C1NC(=O)CO4912.8Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TMS,isomer #9C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OC[C@H](O[Si](C)(C)C)[C@H](O)[C@@H]3O[C@](O)(C(=O)O)C[C@H](O)C3NC(=O)CO)[C@@H](O)[C@H]2O)C=C15019.8Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #1C[Si](C)(C)O[C@@H](COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[C@H](O)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O)C1NC(=O)CO4685.0Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #10C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OC[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O[C@](O)(C(=O)O)C[C@H](O)C2NC(=O)CO)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O4722.4Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #100C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OC[C@H](O)[C@H](O)[C@@H]3O[C@](O[Si](C)(C)C)(C(=O)O)C[C@H](O)C3NC(=O)CO[Si](C)(C)C)[C@@H](O)[C@H]2O)C=C14870.0Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #101C[Si](C)(C)OCC(=O)N(C1[C@@H](O)C[C@@](O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@@H](O)[C@@H](O)COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)[Si](C)(C)C4703.5Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #102C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OC[C@H](O)[C@H](O)[C@@H]2O[C@](O[Si](C)(C)C)(C(=O)O)C[C@H](O)C2NC(=O)CO)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O[Si](C)(C)C4675.0Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #103C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(OC[C@H](O)[C@H](O)[C@@H]2O[C@](O[Si](C)(C)C)(C(=O)O)C[C@H](O)C2NC(=O)CO)O[Si](C)(C)C)O[C@H]1N1C=CC(N)=NC1=O4733.8Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #104C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OC[C@H](O)[C@H](O)[C@@H]3O[C@](O[Si](C)(C)C)(C(=O)O)C[C@H](O)C3NC(=O)CO)[C@@H](O)[C@H]2O[Si](C)(C)C)C=C14842.9Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #105C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OC[C@H](O)[C@H](O)[C@@H]2O[C@](O[Si](C)(C)C)(C(=O)O)C[C@H](O)C2N(C(=O)CO)[Si](C)(C)C)O[C@H]1N1C=CC(N)=NC1=O4653.0Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #106C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(OC[C@H](O)[C@H](O)[C@@H]2O[C@](O[Si](C)(C)C)(C(=O)O)C[C@H](O)C2NC(=O)CO)O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O4744.7Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #107C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OC[C@H](O)[C@H](O)[C@@H]3O[C@](O[Si](C)(C)C)(C(=O)O)C[C@H](O)C3NC(=O)CO)[C@@H](O[Si](C)(C)C)[C@H]2O)C=C14854.5Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #108C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OC[C@H](O)[C@H](O)[C@@H]2O[C@](O[Si](C)(C)C)(C(=O)O)C[C@H](O)C2N(C(=O)CO)[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O4661.7Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #109C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(OC[C@H](O)[C@H](O)[C@@H]3O[C@](O[Si](C)(C)C)(C(=O)O)C[C@H](O)C3NC(=O)CO)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=C14903.4Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #11C[Si](C)(C)O[C@@H](COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O[Si](C)(C)C)[C@H](O)[C@@H]1O[C@](O[Si](C)(C)C)(C(=O)O)C[C@H](O)C1NC(=O)CO4717.1Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #110C[Si](C)(C)O[C@@]1(C(=O)O)C[C@H](O)C(N(C(=O)CO)[Si](C)(C)C)[C@H]([C@@H](O)[C@@H](O)COP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O14708.8Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #111C[Si](C)(C)O[C@@]1(C(=O)O)C[C@H](O)C(NC(=O)CO)[C@H]([C@@H](O)[C@@H](O)COP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)O14769.9Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #112C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OC[C@H](O)[C@H](O)[C@@H]3O[C@](O[Si](C)(C)C)(C(=O)O)C[C@H](O)C3N(C(=O)CO)[Si](C)(C)C)[C@@H](O)[C@H]2O)C=C14853.3Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #113C[Si](C)(C)OCC(=O)NC1[C@@H](O[Si](C)(C)C)C[C@@](O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@@H](O)[C@@H](O)COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O4591.9Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #114C[Si](C)(C)OC(=O)[C@]1(O)C[C@H](O[Si](C)(C)C)C(NC(=O)CO)[C@H]([C@@H](O)[C@@H](O)COP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)O14602.8Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #115C[Si](C)(C)OC(=O)[C@]1(O)C[C@H](O[Si](C)(C)C)C(NC(=O)CO)[C@H]([C@@H](O)[C@@H](O)COP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)O14618.9Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #116C[Si](C)(C)OC(=O)[C@]1(O)C[C@H](O[Si](C)(C)C)C(NC(=O)CO)[C@H]([C@@H](O)[C@@H](O)COP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O14668.5Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #117C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OC[C@H](O)[C@H](O)[C@@H]3O[C@](O)(C(=O)O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)C3NC(=O)CO)[C@@H](O)[C@H]2O)C=C14785.1Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #118C[Si](C)(C)OC(=O)[C@]1(O)C[C@H](O[Si](C)(C)C)C(N(C(=O)CO)[Si](C)(C)C)[C@H]([C@@H](O)[C@@H](O)COP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O14617.2Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #119C[Si](C)(C)O[C@H]1C[C@@](O)(C(=O)O)O[C@@H]([C@@H](O)[C@@H](O)COP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C1NC(=O)CO4672.7Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #12C[Si](C)(C)OC(=O)[C@]1(O)C[C@H](O)C(NC(=O)CO)[C@H]([C@@H](O)[C@H](COP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)O14647.1Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #120C[Si](C)(C)OCC(=O)NC1[C@@H](O[Si](C)(C)C)C[C@@](O)(C(=O)O)O[C@H]1[C@@H](O)[C@@H](O)COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O4646.3Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #121C[Si](C)(C)O[C@H]1C[C@@](O)(C(=O)O)O[C@@H]([C@@H](O)[C@@H](O)COP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)C1NC(=O)CO4723.4Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #122C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OC[C@H](O)[C@H](O)[C@@H]3O[C@](O)(C(=O)O)C[C@H](O[Si](C)(C)C)C3NC(=O)CO)[C@@H](O)[C@H]2O[Si](C)(C)C)C=C14839.5Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #123C[Si](C)(C)O[C@H]1C[C@@](O)(C(=O)O)O[C@@H]([C@@H](O)[C@@H](O)COP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)C1N(C(=O)CO)[Si](C)(C)C4660.8Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #124C[Si](C)(C)OCC(=O)NC1[C@@H](O[Si](C)(C)C)C[C@@](O)(C(=O)O)O[C@H]1[C@@H](O)[C@@H](O)COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O[Si](C)(C)C4664.2Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #125C[Si](C)(C)O[C@H]1C[C@@](O)(C(=O)O)O[C@@H]([C@@H](O)[C@@H](O)COP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)C1NC(=O)CO4737.0Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #126C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OC[C@H](O)[C@H](O)[C@@H]3O[C@](O)(C(=O)O)C[C@H](O[Si](C)(C)C)C3NC(=O)CO)[C@@H](O[Si](C)(C)C)[C@H]2O)C=C14853.1Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #127C[Si](C)(C)O[C@H]1C[C@@](O)(C(=O)O)O[C@@H]([C@@H](O)[C@@H](O)COP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)C1N(C(=O)CO)[Si](C)(C)C4671.5Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #128C[Si](C)(C)OCC(=O)NC1[C@@H](O[Si](C)(C)C)C[C@@](O)(C(=O)O)O[C@H]1[C@@H](O)[C@@H](O)COP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C4725.2Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #129C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OC[C@H](O)[C@H](O)[C@@H]3O[C@](O)(C(=O)O)C[C@H](O[Si](C)(C)C)C3NC(=O)CO[Si](C)(C)C)[C@@H](O)[C@H]2O)C=C14864.8Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #13C[Si](C)(C)O[C@H]1C[C@@](O)(C(=O)O)O[C@@H]([C@@H](O)[C@H](COP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)C1NC(=O)CO4710.0Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #130C[Si](C)(C)OCC(=O)N(C1[C@@H](O[Si](C)(C)C)C[C@@](O)(C(=O)O)O[C@H]1[C@@H](O)[C@@H](O)COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)[Si](C)(C)C4725.0Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #131C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(OC[C@H](O)[C@H](O)[C@@H]3O[C@](O)(C(=O)O)C[C@H](O[Si](C)(C)C)C3NC(=O)CO)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=C14894.6Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #132C[Si](C)(C)O[C@H]1C[C@@](O)(C(=O)O)O[C@@H]([C@@H](O)[C@@H](O)COP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)C1N(C(=O)CO)[Si](C)(C)C4723.2Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #133C[Si](C)(C)O[C@H]1C[C@@](O)(C(=O)O)O[C@@H]([C@@H](O)[C@@H](O)COP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)C1NC(=O)CO4763.8Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #134C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OC[C@H](O)[C@H](O)[C@@H]3O[C@](O)(C(=O)O)C[C@H](O[Si](C)(C)C)C3N(C(=O)CO)[Si](C)(C)C)[C@@H](O)[C@H]2O)C=C14879.1Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #135C[Si](C)(C)OCC(=O)NC1[C@@H](O)C[C@@](O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@@H](O)[C@@H](O)COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O4587.6Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #136C[Si](C)(C)OCC(=O)NC1[C@@H](O)C[C@@](O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@@H](O)[C@@H](O)COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O[Si](C)(C)C4603.0Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #137C[Si](C)(C)OCC(=O)NC1[C@@H](O)C[C@@](O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@@H](O)[C@@H](O)COP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C4653.1Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #138C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OC[C@H](O)[C@H](O)[C@@H]3O[C@](O)(C(=O)O[Si](C)(C)C)C[C@H](O)C3NC(=O)CO[Si](C)(C)C)[C@@H](O)[C@H]2O)C=C14798.8Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #139C[Si](C)(C)OCC(=O)N(C1[C@@H](O)C[C@@](O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@@H](O)[C@@H](O)COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)[Si](C)(C)C4638.7Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #14C[Si](C)(C)OCC(=O)NC1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1[C@@H](O)[C@H](COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C4669.4Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #140C[Si](C)(C)OCC(=O)NC1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1[C@@H](O)[C@@H](O)COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C4633.8Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #141C[Si](C)(C)OCC(=O)NC1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1[C@@H](O)[C@@H](O)COP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C4691.6Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #142C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OC[C@H](O)[C@H](O)[C@@H]3O[C@](O)(C(=O)O)C[C@H](O)C3NC(=O)CO[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=C14827.0Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #143C[Si](C)(C)OCC(=O)N(C1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1[C@@H](O)[C@@H](O)COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C4669.4Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #144C[Si](C)(C)OCC(=O)NC1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1[C@@H](O)[C@@H](O)COP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C4705.0Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #145C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OC[C@H](O)[C@H](O)[C@@H]3O[C@](O)(C(=O)O)C[C@H](O)C3NC(=O)CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=C14843.8Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #146C[Si](C)(C)OCC(=O)N(C1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1[C@@H](O)[C@@H](O)COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C4682.6Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #147C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(OC[C@H](O)[C@H](O)[C@@H]3O[C@](O)(C(=O)O)C[C@H](O)C3NC(=O)CO[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=C14897.7Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #148C[Si](C)(C)OCC(=O)N(C1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1[C@@H](O)[C@@H](O)COP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C)[Si](C)(C)C4742.2Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #149C[Si](C)(C)OCC(=O)NC1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1[C@@H](O)[C@@H](O)COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O4753.3Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #15C[Si](C)(C)O[C@@H](COP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O)C1NC(=O)CO4736.1Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #150C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OC[C@H](O)[C@H](O)[C@@H]3O[C@](O)(C(=O)O)C[C@H](O)C3N(C(=O)CO[Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H]2O)C=C14881.0Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #151C[Si](C)(C)OC(=O)[C@]1(O)C[C@H](O)C(NC(=O)CO)[C@H]([C@@H](O)[C@@H](O)COP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)O14622.7Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #152C[Si](C)(C)OC(=O)[C@]1(O)C[C@H](O)C(NC(=O)CO)[C@H]([C@@H](O)[C@@H](O)COP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)O14669.8Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #153C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OC[C@H](O)[C@H](O)[C@@H]3O[C@](O)(C(=O)O[Si](C)(C)C)C[C@H](O)C3NC(=O)CO)[C@@H](O)[C@H]2O[Si](C)(C)C)C=C14775.9Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #154C[Si](C)(C)OC(=O)[C@]1(O)C[C@H](O)C(N(C(=O)CO)[Si](C)(C)C)[C@H]([C@@H](O)[C@@H](O)COP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)O14594.1Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #155C[Si](C)(C)OC(=O)[C@]1(O)C[C@H](O)C(NC(=O)CO)[C@H]([C@@H](O)[C@@H](O)COP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)O14681.6Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #156C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OC[C@H](O)[C@H](O)[C@@H]3O[C@](O)(C(=O)O[Si](C)(C)C)C[C@H](O)C3NC(=O)CO)[C@@H](O[Si](C)(C)C)[C@H]2O)C=C14789.6Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #157C[Si](C)(C)OC(=O)[C@]1(O)C[C@H](O)C(N(C(=O)CO)[Si](C)(C)C)[C@H]([C@@H](O)[C@@H](O)COP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)O14603.0Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #158C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(OC[C@H](O)[C@H](O)[C@@H]3O[C@](O)(C(=O)O[Si](C)(C)C)C[C@H](O)C3NC(=O)CO)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=C14849.6Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #159C[Si](C)(C)OC(=O)[C@]1(O)C[C@H](O)C(N(C(=O)CO)[Si](C)(C)C)[C@H]([C@@H](O)[C@@H](O)COP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O14656.1Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #16C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OC[C@H](O[Si](C)(C)C)[C@H](O)[C@@H]3O[C@](O)(C(=O)O)C[C@H](O)C3NC(=O)CO)[C@@H](O[Si](C)(C)C)[C@H]2O)C=C14865.5Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #160C[Si](C)(C)OC(=O)[C@]1(O)C[C@H](O)C(NC(=O)CO)[C@H]([C@@H](O)[C@@H](O)COP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)O14706.0Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #161C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OC[C@H](O)[C@H](O)[C@@H]3O[C@](O)(C(=O)O[Si](C)(C)C)C[C@H](O)C3N(C(=O)CO)[Si](C)(C)C)[C@@H](O)[C@H]2O)C=C14793.2Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #162C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(OC[C@H](O)[C@H](O)[C@@H]2O[C@](O)(C(=O)O)C[C@H](O)C2NC(=O)CO)O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O[Si](C)(C)C4702.7Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #163C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OC[C@H](O)[C@H](O)[C@@H]3O[C@](O)(C(=O)O)C[C@H](O)C3NC(=O)CO)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C14835.1Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #164C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OC[C@H](O)[C@H](O)[C@@H]2O[C@](O)(C(=O)O)C[C@H](O)C2N(C(=O)CO)[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O[Si](C)(C)C4649.6Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #165C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(OC[C@H](O)[C@H](O)[C@@H]3O[C@](O)(C(=O)O)C[C@H](O)C3NC(=O)CO)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=C14880.2Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #166C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(OC[C@H](O)[C@H](O)[C@@H]2O[C@](O)(C(=O)O)C[C@H](O)C2N(C(=O)CO)[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O4695.1Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #167C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OC[C@H](O)[C@H](O)[C@@H]2O[C@](O)(C(=O)O)C[C@H](O)C2NC(=O)CO)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@@H]1O4744.5Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #168C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OC[C@H](O)[C@H](O)[C@@H]3O[C@](O)(C(=O)O)C[C@H](O)C3N(C(=O)CO)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=C14835.5Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #169C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(OC[C@H](O)[C@H](O)[C@@H]3O[C@](O)(C(=O)O)C[C@H](O)C3NC(=O)CO)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=C14873.5Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #17C[Si](C)(C)O[C@@H](COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O[Si](C)(C)C)[C@H](O)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O)C1N(C(=O)CO)[Si](C)(C)C4669.4Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #170C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(OC[C@H](O)[C@H](O)[C@@H]2O[C@](O)(C(=O)O)C[C@H](O)C2N(C(=O)CO)[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=CC(N)=NC1=O4686.5Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #171C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OC[C@H](O)[C@H](O)[C@@H]2O[C@](O)(C(=O)O)C[C@H](O)C2NC(=O)CO)O[C@H]1N1C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC1=O4730.0Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #172C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OC[C@H](O)[C@H](O)[C@@H]3O[C@](O)(C(=O)O)C[C@H](O)C3N(C(=O)CO)[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=C14828.9Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #173C[Si](C)(C)OP(=O)(OC[C@H](O)[C@H](O)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O)C1NC(=O)CO)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O4795.6Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #174C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(OC[C@H](O)[C@H](O)[C@@H]3O[C@](O)(C(=O)O)C[C@H](O)C3N(C(=O)CO)[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=C14878.2Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #175C[Si](C)(C)N(C(=O)CO)C1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1[C@@H](O)[C@@H](O)COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O4733.4Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #18C[Si](C)(C)O[C@@H](COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)[C@H](O[Si](C)(C)C)[C@@H]1O[C@](O[Si](C)(C)C)(C(=O)O)C[C@H](O)C1NC(=O)CO4725.7Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #19C[Si](C)(C)OC(=O)[C@]1(O)C[C@H](O)C(NC(=O)CO)[C@H]([C@@H](O[Si](C)(C)C)[C@H](COP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O14671.0Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #2C[Si](C)(C)O[C@@H](COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O)[C@H](O[Si](C)(C)C)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O)C1NC(=O)CO4705.3Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #20C[Si](C)(C)O[C@H]1C[C@@](O)(C(=O)O)O[C@@H]([C@@H](O[Si](C)(C)C)[C@H](COP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)C1NC(=O)CO4717.5Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #21C[Si](C)(C)OCC(=O)NC1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C4698.7Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #22C[Si](C)(C)O[C@@H](COP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O)C1NC(=O)CO4756.0Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #23C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OC[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]3O[C@](O)(C(=O)O)C[C@H](O)C3NC(=O)CO)[C@@H](O)[C@H]2O)C=C14888.5Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #24C[Si](C)(C)O[C@@H](COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)[C@H](O[Si](C)(C)C)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O)C1N(C(=O)CO)[Si](C)(C)C4701.2Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #25C[Si](C)(C)OC(=O)[C@]1(O[Si](C)(C)C)C[C@H](O)C(NC(=O)CO)[C@H]([C@@H](O)[C@H](COP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O14653.8Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #26C[Si](C)(C)O[C@H]1C[C@@](O[Si](C)(C)C)(C(=O)O)O[C@@H]([C@@H](O)[C@H](COP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)C1NC(=O)CO4731.2Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #27C[Si](C)(C)OCC(=O)NC1[C@@H](O)C[C@@](O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@@H](O)[C@H](COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C4705.9Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #28C[Si](C)(C)O[C@@H](COP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C)[C@H](O)[C@@H]1O[C@](O[Si](C)(C)C)(C(=O)O)C[C@H](O)C1NC(=O)CO4767.8Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #29C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OC[C@H](O[Si](C)(C)C)[C@H](O)[C@@H]3O[C@](O[Si](C)(C)C)(C(=O)O)C[C@H](O)C3NC(=O)CO)[C@@H](O)[C@H]2O)C=C14887.6Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #3C[Si](C)(C)O[C@@H](COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O)[C@H](O)[C@@H]1O[C@](O[Si](C)(C)C)(C(=O)O)C[C@H](O)C1NC(=O)CO4700.8Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #30C[Si](C)(C)O[C@@H](COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)[C@H](O)[C@@H]1O[C@](O[Si](C)(C)C)(C(=O)O)C[C@H](O)C1N(C(=O)CO)[Si](C)(C)C4691.6Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #31C[Si](C)(C)OC(=O)[C@]1(O)C[C@H](O[Si](C)(C)C)C(NC(=O)CO)[C@H]([C@@H](O)[C@H](COP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O14638.2Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #32C[Si](C)(C)OCC(=O)NC1[C@@H](O)C[C@@](O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@@H](O)[C@H](COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C4610.2Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #33C[Si](C)(C)OC(=O)[C@]1(O)C[C@H](O)C(NC(=O)CO)[C@H]([C@@H](O)[C@H](COP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[Si](C)(C)C)O14683.0Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #34C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OC[C@H](O[Si](C)(C)C)[C@H](O)[C@@H]3O[C@](O)(C(=O)O[Si](C)(C)C)C[C@H](O)C3NC(=O)CO)[C@@H](O)[C@H]2O)C=C14819.6Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #35C[Si](C)(C)OC(=O)[C@]1(O)C[C@H](O)C(N(C(=O)CO)[Si](C)(C)C)[C@H]([C@@H](O)[C@H](COP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O14628.6Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #36C[Si](C)(C)OCC(=O)NC1[C@@H](O[Si](C)(C)C)C[C@@](O)(C(=O)O)O[C@H]1[C@@H](O)[C@H](COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C4696.0Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #37C[Si](C)(C)O[C@H]1C[C@@](O)(C(=O)O)O[C@@H]([C@@H](O)[C@H](COP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[Si](C)(C)C)C1NC(=O)CO4763.7Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #38C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OC[C@H](O[Si](C)(C)C)[C@H](O)[C@@H]3O[C@](O)(C(=O)O)C[C@H](O[Si](C)(C)C)C3NC(=O)CO)[C@@H](O)[C@H]2O)C=C14880.3Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #39C[Si](C)(C)O[C@H]1C[C@@](O)(C(=O)O)O[C@@H]([C@@H](O)[C@H](COP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)C1N(C(=O)CO)[Si](C)(C)C4701.0Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #4C[Si](C)(C)OC(=O)[C@]1(O)C[C@H](O)C(NC(=O)CO)[C@H]([C@@H](O)[C@H](COP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)O14631.1Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #40C[Si](C)(C)OCC(=O)NC1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1[C@@H](O)[C@H](COP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C)O[Si](C)(C)C4715.1Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #41C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OC[C@H](O[Si](C)(C)C)[C@H](O)[C@@H]3O[C@](O)(C(=O)O)C[C@H](O)C3NC(=O)CO[Si](C)(C)C)[C@@H](O)[C@H]2O)C=C14870.1Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #42C[Si](C)(C)OCC(=O)N(C1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1[C@@H](O)[C@H](COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C)[Si](C)(C)C4704.3Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #43C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(OC[C@H](O[Si](C)(C)C)[C@H](O)[C@@H]3O[C@](O)(C(=O)O)C[C@H](O)C3NC(=O)CO)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=C14902.0Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #44C[Si](C)(C)O[C@@H](COP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C)[C@H](O)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O)C1N(C(=O)CO)[Si](C)(C)C4711.2Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #45C[Si](C)(C)O[C@@H](COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O)[C@H](O)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O)C1NC(=O)CO4783.4Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #46C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OC[C@H](O[Si](C)(C)C)[C@H](O)[C@@H]3O[C@](O)(C(=O)O)C[C@H](O)C3N(C(=O)CO)[Si](C)(C)C)[C@@H](O)[C@H]2O)C=C14865.5Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #47C[Si](C)(C)O[C@@H]([C@@H](O)COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O)C1NC(=O)CO4698.8Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #48C[Si](C)(C)O[C@@H]([C@@H](O)COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O)[C@@H]1O[C@](O[Si](C)(C)C)(C(=O)O)C[C@H](O)C1NC(=O)CO4685.5Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #49C[Si](C)(C)OC(=O)[C@]1(O)C[C@H](O)C(NC(=O)CO)[C@H]([C@@H](O[Si](C)(C)C)[C@@H](O)COP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)O14647.3Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #5C[Si](C)(C)O[C@H]1C[C@@](O)(C(=O)O)O[C@@H]([C@@H](O)[C@H](COP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)C1NC(=O)CO4691.6Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #50C[Si](C)(C)O[C@H]1C[C@@](O)(C(=O)O)O[C@@H]([C@@H](O[Si](C)(C)C)[C@@H](O)COP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)C1NC(=O)CO4672.8Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #51C[Si](C)(C)OCC(=O)NC1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1[C@@H](O[Si](C)(C)C)[C@@H](O)COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O4662.3Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #52C[Si](C)(C)O[C@@H]([C@@H](O)COP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O)C1NC(=O)CO4744.9Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #53C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OC[C@H](O)[C@H](O[Si](C)(C)C)[C@@H]3O[C@](O)(C(=O)O)C[C@H](O)C3NC(=O)CO)[C@@H](O)[C@H]2O[Si](C)(C)C)C=C14856.9Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #54C[Si](C)(C)O[C@@H]([C@@H](O)COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O)C1N(C(=O)CO)[Si](C)(C)C4664.9Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #55C[Si](C)(C)O[C@@H]([C@@H](O)COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O[Si](C)(C)C)[C@@H]1O[C@](O[Si](C)(C)C)(C(=O)O)C[C@H](O)C1NC(=O)CO4699.8Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #56C[Si](C)(C)OC(=O)[C@]1(O)C[C@H](O)C(NC(=O)CO)[C@H]([C@@H](O[Si](C)(C)C)[C@@H](O)COP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)O14663.2Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #57C[Si](C)(C)O[C@H]1C[C@@](O)(C(=O)O)O[C@@H]([C@@H](O[Si](C)(C)C)[C@@H](O)COP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)C1NC(=O)CO4687.6Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #58C[Si](C)(C)OCC(=O)NC1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1[C@@H](O[Si](C)(C)C)[C@@H](O)COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O[Si](C)(C)C4680.1Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #59C[Si](C)(C)O[C@@H]([C@@H](O)COP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O)C1NC(=O)CO4755.9Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #6C[Si](C)(C)OCC(=O)NC1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1[C@@H](O)[C@H](COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C4649.6Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #60C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OC[C@H](O)[C@H](O[Si](C)(C)C)[C@@H]3O[C@](O)(C(=O)O)C[C@H](O)C3NC(=O)CO)[C@@H](O[Si](C)(C)C)[C@H]2O)C=C14869.1Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #61C[Si](C)(C)O[C@@H]([C@@H](O)COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O[Si](C)(C)C)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O)C1N(C(=O)CO)[Si](C)(C)C4675.7Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #62C[Si](C)(C)OC(=O)[C@]1(O[Si](C)(C)C)C[C@H](O)C(NC(=O)CO)[C@H]([C@@H](O[Si](C)(C)C)[C@@H](O)COP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O14635.4Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #63C[Si](C)(C)O[C@H]1C[C@@](O[Si](C)(C)C)(C(=O)O)O[C@@H]([C@@H](O[Si](C)(C)C)[C@@H](O)COP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)C1NC(=O)CO4682.1Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #64C[Si](C)(C)OCC(=O)NC1[C@@H](O)C[C@@](O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@@H](O[Si](C)(C)C)[C@@H](O)COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O4685.0Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #65C[Si](C)(C)O[C@@H]([C@@H](O)COP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C)[C@@H]1O[C@](O[Si](C)(C)C)(C(=O)O)C[C@H](O)C1NC(=O)CO4748.5Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #66C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OC[C@H](O)[C@H](O[Si](C)(C)C)[C@@H]3O[C@](O[Si](C)(C)C)(C(=O)O)C[C@H](O)C3NC(=O)CO)[C@@H](O)[C@H]2O)C=C14868.0Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #67C[Si](C)(C)O[C@@H]([C@@H](O)COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)[C@@H]1O[C@](O[Si](C)(C)C)(C(=O)O)C[C@H](O)C1N(C(=O)CO)[Si](C)(C)C4684.4Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #68C[Si](C)(C)OC(=O)[C@]1(O)C[C@H](O[Si](C)(C)C)C(NC(=O)CO)[C@H]([C@@H](O[Si](C)(C)C)[C@@H](O)COP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O14633.0Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #69C[Si](C)(C)OCC(=O)NC1[C@@H](O)C[C@@](O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@@H](O)COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O4628.7Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #7C[Si](C)(C)O[C@@H](COP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C)[C@H](O)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O)C1NC(=O)CO4723.8Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #70C[Si](C)(C)OC(=O)[C@]1(O)C[C@H](O)C(NC(=O)CO)[C@H]([C@@H](O[Si](C)(C)C)[C@@H](O)COP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O14707.5Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #71C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OC[C@H](O)[C@H](O[Si](C)(C)C)[C@@H]3O[C@](O)(C(=O)O[Si](C)(C)C)C[C@H](O)C3NC(=O)CO)[C@@H](O)[C@H]2O)C=C14826.4Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #72C[Si](C)(C)OC(=O)[C@]1(O)C[C@H](O)C(N(C(=O)CO)[Si](C)(C)C)[C@H]([C@@H](O[Si](C)(C)C)[C@@H](O)COP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O14636.8Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #73C[Si](C)(C)OCC(=O)NC1[C@@H](O[Si](C)(C)C)C[C@@](O)(C(=O)O)O[C@H]1[C@@H](O[Si](C)(C)C)[C@@H](O)COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O4667.0Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #74C[Si](C)(C)O[C@H]1C[C@@](O)(C(=O)O)O[C@@H]([C@@H](O[Si](C)(C)C)[C@@H](O)COP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)C1NC(=O)CO4738.9Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #75C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OC[C@H](O)[C@H](O[Si](C)(C)C)[C@@H]3O[C@](O)(C(=O)O)C[C@H](O[Si](C)(C)C)C3NC(=O)CO)[C@@H](O)[C@H]2O)C=C14850.1Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #76C[Si](C)(C)O[C@H]1C[C@@](O)(C(=O)O)O[C@@H]([C@@H](O[Si](C)(C)C)[C@@H](O)COP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)C1N(C(=O)CO)[Si](C)(C)C4701.8Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #77C[Si](C)(C)OCC(=O)NC1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1[C@@H](O[Si](C)(C)C)[C@@H](O)COP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C4732.1Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #78C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OC[C@H](O)[C@H](O[Si](C)(C)C)[C@@H]3O[C@](O)(C(=O)O)C[C@H](O)C3NC(=O)CO[Si](C)(C)C)[C@@H](O)[C@H]2O)C=C14875.5Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #79C[Si](C)(C)OCC(=O)N(C1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1[C@@H](O[Si](C)(C)C)[C@@H](O)COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)[Si](C)(C)C4711.6Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #8C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OC[C@H](O[Si](C)(C)C)[C@H](O)[C@@H]3O[C@](O)(C(=O)O)C[C@H](O)C3NC(=O)CO)[C@@H](O)[C@H]2O[Si](C)(C)C)C=C14852.6Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #80C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(OC[C@H](O)[C@H](O[Si](C)(C)C)[C@@H]3O[C@](O)(C(=O)O)C[C@H](O)C3NC(=O)CO)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=C14914.3Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #81C[Si](C)(C)O[C@@H]([C@@H](O)COP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O)C1N(C(=O)CO)[Si](C)(C)C4723.7Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #82C[Si](C)(C)O[C@@H]([C@@H](O)COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O)C1NC(=O)CO4781.6Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #83C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OC[C@H](O)[C@H](O[Si](C)(C)C)[C@@H]3O[C@](O)(C(=O)O)C[C@H](O)C3N(C(=O)CO)[Si](C)(C)C)[C@@H](O)[C@H]2O)C=C14870.7Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #84C[Si](C)(C)OC(=O)[C@]1(O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)C(NC(=O)CO)[C@H]([C@@H](O)[C@@H](O)COP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O14627.5Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #85C[Si](C)(C)OCC(=O)NC1[C@@H](O)C[C@@](O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@@H](O)[C@@H](O)COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O4615.8Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #86C[Si](C)(C)OC(=O)[C@]1(O[Si](C)(C)C)C[C@H](O)C(NC(=O)CO)[C@H]([C@@H](O)[C@@H](O)COP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)O14615.7Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #87C[Si](C)(C)OC(=O)[C@]1(O[Si](C)(C)C)C[C@H](O)C(NC(=O)CO)[C@H]([C@@H](O)[C@@H](O)COP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)O14630.6Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #88C[Si](C)(C)OC(=O)[C@]1(O[Si](C)(C)C)C[C@H](O)C(NC(=O)CO)[C@H]([C@@H](O)[C@@H](O)COP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O14685.6Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #89C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OC[C@H](O)[C@H](O)[C@@H]3O[C@](O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H](O)C3NC(=O)CO)[C@@H](O)[C@H]2O)C=C14800.6Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #9C[Si](C)(C)O[C@@H](COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O)[C@H](O)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O)C1N(C(=O)CO)[Si](C)(C)C4658.9Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #90C[Si](C)(C)OC(=O)[C@]1(O[Si](C)(C)C)C[C@H](O)C(N(C(=O)CO)[Si](C)(C)C)[C@H]([C@@H](O)[C@@H](O)COP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O14621.5Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #91C[Si](C)(C)O[C@H]1C[C@@](O[Si](C)(C)C)(C(=O)O)O[C@@H]([C@@H](O)[C@@H](O)COP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)C1NC(=O)CO4665.8Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #92C[Si](C)(C)O[C@H]1C[C@@](O[Si](C)(C)C)(C(=O)O)O[C@@H]([C@@H](O)[C@@H](O)COP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)C1NC(=O)CO4683.8Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #93C[Si](C)(C)OCC(=O)NC1[C@@H](O[Si](C)(C)C)C[C@@](O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@@H](O)[C@@H](O)COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O4679.0Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #94C[Si](C)(C)O[C@H]1C[C@@](O[Si](C)(C)C)(C(=O)O)O[C@@H]([C@@H](O)[C@@H](O)COP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)C1NC(=O)CO4750.7Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #95C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OC[C@H](O)[C@H](O)[C@@H]3O[C@](O[Si](C)(C)C)(C(=O)O)C[C@H](O[Si](C)(C)C)C3NC(=O)CO)[C@@H](O)[C@H]2O)C=C14852.8Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #96C[Si](C)(C)O[C@H]1C[C@@](O[Si](C)(C)C)(C(=O)O)O[C@@H]([C@@H](O)[C@@H](O)COP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)C1N(C(=O)CO)[Si](C)(C)C4691.7Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #97C[Si](C)(C)OCC(=O)NC1[C@@H](O)C[C@@](O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@@H](O)[C@@H](O)COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O4656.2Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #98C[Si](C)(C)OCC(=O)NC1[C@@H](O)C[C@@](O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@@H](O)[C@@H](O)COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O[Si](C)(C)C4673.7Semi standard non polar33892256
CMP-N-glycoloylneuraminate,3TMS,isomer #99C[Si](C)(C)OCC(=O)NC1[C@@H](O)C[C@@](O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@@H](O)[C@@H](O)COP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C4734.1Semi standard non polar33892256
CMP-N-glycoloylneuraminate,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H](COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)[C@H](O)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O)C1NC(=O)CO5194.5Semi standard non polar33892256
CMP-N-glycoloylneuraminate,1TBDMS,isomer #10CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OC[C@H](O)[C@H](O)[C@@H]3O[C@](O)(C(=O)O)C[C@H](O)C3NC(=O)CO)[C@@H](O)[C@H]2O)C=C15283.5Semi standard non polar33892256
CMP-N-glycoloylneuraminate,1TBDMS,isomer #11CC(C)(C)[Si](C)(C)N(C(=O)CO)C1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1[C@@H](O)[C@@H](O)COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O5188.0Semi standard non polar33892256
CMP-N-glycoloylneuraminate,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H]([C@@H](O)COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O)C1NC(=O)CO5197.9Semi standard non polar33892256
CMP-N-glycoloylneuraminate,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@@]1(C(=O)O)C[C@H](O)C(NC(=O)CO)[C@H]([C@@H](O)[C@@H](O)COP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O15207.0Semi standard non polar33892256
CMP-N-glycoloylneuraminate,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@H]1C[C@@](O)(C(=O)O)O[C@@H]([C@@H](O)[C@@H](O)COP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)C1NC(=O)CO5167.4Semi standard non polar33892256
CMP-N-glycoloylneuraminate,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)OCC(=O)NC1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1[C@@H](O)[C@@H](O)COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O5161.4Semi standard non polar33892256
CMP-N-glycoloylneuraminate,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)[C@]1(O)C[C@H](O)C(NC(=O)CO)[C@H]([C@@H](O)[C@@H](O)COP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O15156.3Semi standard non polar33892256
CMP-N-glycoloylneuraminate,1TBDMS,isomer #7CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OC[C@H](O)[C@H](O)[C@@H]2O[C@](O)(C(=O)O)C[C@H](O)C2NC(=O)CO)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O5162.7Semi standard non polar33892256
CMP-N-glycoloylneuraminate,1TBDMS,isomer #8CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OC[C@H](O)[C@H](O)[C@@H]2O[C@](O)(C(=O)O)C[C@H](O)C2NC(=O)CO)O[C@H]1N1C=CC(N)=NC1=O5150.1Semi standard non polar33892256
CMP-N-glycoloylneuraminate,1TBDMS,isomer #9CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H](O)[C@H](O)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O)C1NC(=O)CO)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O5287.1Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H](COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)[C@H](O)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O)C1NC(=O)CO5157.6Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)O[C@@H](COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)[C@H](O)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O)C1N(C(=O)CO)[Si](C)(C)C(C)(C)C5187.4Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)O[C@@H]([C@@H](O)COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O)C1NC(=O)CO5174.6Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)O[C@@H]([C@@H](O)COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O)C1NC(=O)CO5182.5Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TBDMS,isomer #13CC(C)(C)[Si](C)(C)O[C@@H]([C@@H](O)COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)[C@@H]1O[C@](O[Si](C)(C)C(C)(C)C)(C(=O)O)C[C@H](O)C1NC(=O)CO5194.8Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC(=O)[C@]1(O)C[C@H](O)C(NC(=O)CO)[C@H]([C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)COP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O15188.7Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TBDMS,isomer #15CC(C)(C)[Si](C)(C)O[C@H]1C[C@@](O)(C(=O)O)O[C@@H]([C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)COP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)C1NC(=O)CO5163.6Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TBDMS,isomer #16CC(C)(C)[Si](C)(C)OCC(=O)NC1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O5175.8Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TBDMS,isomer #17CC(C)(C)[Si](C)(C)O[C@@H]([C@@H](O)COP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O)C1NC(=O)CO5272.5Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TBDMS,isomer #18CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OC[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]3O[C@](O)(C(=O)O)C[C@H](O)C3NC(=O)CO)[C@@H](O)[C@H]2O)C=C15322.5Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TBDMS,isomer #19CC(C)(C)[Si](C)(C)O[C@@H]([C@@H](O)COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O)C1N(C(=O)CO)[Si](C)(C)C(C)(C)C5193.5Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H](COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O)C1NC(=O)CO5166.5Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC(=O)[C@]1(O[Si](C)(C)C(C)(C)C)C[C@H](O)C(NC(=O)CO)[C@H]([C@@H](O)[C@@H](O)COP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O15176.8Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TBDMS,isomer #21CC(C)(C)[Si](C)(C)O[C@H]1C[C@@](O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@@H]([C@@H](O)[C@@H](O)COP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)C1NC(=O)CO5167.6Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TBDMS,isomer #22CC(C)(C)[Si](C)(C)OCC(=O)NC1[C@@H](O)C[C@@](O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@@H](O)[C@@H](O)COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O5181.0Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TBDMS,isomer #23CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OC[C@H](O)[C@H](O)[C@@H]2O[C@](O[Si](C)(C)C(C)(C)C)(C(=O)O)C[C@H](O)C2NC(=O)CO)O[C@H]1N1C=CC(N)=NC1=O5170.1Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TBDMS,isomer #24CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OC[C@H](O)[C@H](O)[C@@H]2O[C@](O[Si](C)(C)C(C)(C)C)(C(=O)O)C[C@H](O)C2NC(=O)CO)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O5177.7Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TBDMS,isomer #25CC(C)(C)[Si](C)(C)O[C@@]1(C(=O)O)C[C@H](O)C(NC(=O)CO)[C@H]([C@@H](O)[C@@H](O)COP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C(C)(C)C)O15285.7Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TBDMS,isomer #26CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OC[C@H](O)[C@H](O)[C@@H]3O[C@](O[Si](C)(C)C(C)(C)C)(C(=O)O)C[C@H](O)C3NC(=O)CO)[C@@H](O)[C@H]2O)C=C15329.2Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TBDMS,isomer #27CC(C)(C)[Si](C)(C)O[C@@]1(C(=O)O)C[C@H](O)C(N(C(=O)CO)[Si](C)(C)C(C)(C)C)[C@H]([C@@H](O)[C@@H](O)COP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O15202.1Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TBDMS,isomer #28CC(C)(C)[Si](C)(C)OC(=O)[C@]1(O)C[C@H](O[Si](C)(C)C(C)(C)C)C(NC(=O)CO)[C@H]([C@@H](O)[C@@H](O)COP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O15149.0Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TBDMS,isomer #29CC(C)(C)[Si](C)(C)O[C@H]1C[C@@](O)(C(=O)O)O[C@@H]([C@@H](O)[C@@H](O)COP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)C1NC(=O)CO5148.0Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@@H](COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O)C1NC(=O)CO5200.0Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TBDMS,isomer #30CC(C)(C)[Si](C)(C)O[C@H]1C[C@@](O)(C(=O)O)O[C@@H]([C@@H](O)[C@@H](O)COP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)C1NC(=O)CO5154.0Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TBDMS,isomer #31CC(C)(C)[Si](C)(C)OCC(=O)NC1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@](O)(C(=O)O)O[C@H]1[C@@H](O)[C@@H](O)COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O5150.9Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TBDMS,isomer #32CC(C)(C)[Si](C)(C)O[C@H]1C[C@@](O)(C(=O)O)O[C@@H]([C@@H](O)[C@@H](O)COP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C(C)(C)C)C1NC(=O)CO5247.6Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TBDMS,isomer #33CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OC[C@H](O)[C@H](O)[C@@H]3O[C@](O)(C(=O)O)C[C@H](O[Si](C)(C)C(C)(C)C)C3NC(=O)CO)[C@@H](O)[C@H]2O)C=C15298.6Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TBDMS,isomer #34CC(C)(C)[Si](C)(C)O[C@H]1C[C@@](O)(C(=O)O)O[C@@H]([C@@H](O)[C@@H](O)COP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)C1N(C(=O)CO)[Si](C)(C)C(C)(C)C5185.6Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TBDMS,isomer #35CC(C)(C)[Si](C)(C)OCC(=O)NC1[C@@H](O)C[C@@](O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@@H](O)[C@@H](O)COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O5146.7Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TBDMS,isomer #36CC(C)(C)[Si](C)(C)OCC(=O)NC1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1[C@@H](O)[C@@H](O)COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O5136.4Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TBDMS,isomer #37CC(C)(C)[Si](C)(C)OCC(=O)NC1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1[C@@H](O)[C@@H](O)COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C5146.7Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TBDMS,isomer #38CC(C)(C)[Si](C)(C)OCC(=O)NC1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1[C@@H](O)[C@@H](O)COP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C5244.6Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TBDMS,isomer #39CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OC[C@H](O)[C@H](O)[C@@H]3O[C@](O)(C(=O)O)C[C@H](O)C3NC(=O)CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O)C=C15313.3Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@@H](COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)[C@H](O)[C@@H]1O[C@](O[Si](C)(C)C(C)(C)C)(C(=O)O)C[C@H](O)C1NC(=O)CO5205.0Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TBDMS,isomer #40CC(C)(C)[Si](C)(C)OCC(=O)N(C1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1[C@@H](O)[C@@H](O)COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)[Si](C)(C)C(C)(C)C5223.3Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TBDMS,isomer #41CC(C)(C)[Si](C)(C)OC(=O)[C@]1(O)C[C@H](O)C(NC(=O)CO)[C@H]([C@@H](O)[C@@H](O)COP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)O15141.9Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TBDMS,isomer #42CC(C)(C)[Si](C)(C)OC(=O)[C@]1(O)C[C@H](O)C(NC(=O)CO)[C@H]([C@@H](O)[C@@H](O)COP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)O15150.1Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TBDMS,isomer #43CC(C)(C)[Si](C)(C)OC(=O)[C@]1(O)C[C@H](O)C(NC(=O)CO)[C@H]([C@@H](O)[C@@H](O)COP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C(C)(C)C)O15252.8Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TBDMS,isomer #44CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OC[C@H](O)[C@H](O)[C@@H]3O[C@](O)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H](O)C3NC(=O)CO)[C@@H](O)[C@H]2O)C=C15296.6Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TBDMS,isomer #45CC(C)(C)[Si](C)(C)OC(=O)[C@]1(O)C[C@H](O)C(N(C(=O)CO)[Si](C)(C)C(C)(C)C)[C@H]([C@@H](O)[C@@H](O)COP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O15165.7Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TBDMS,isomer #46CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OC[C@H](O)[C@H](O)[C@@H]2O[C@](O)(C(=O)O)C[C@H](O)C2NC(=O)CO)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O[Si](C)(C)C(C)(C)C5143.1Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TBDMS,isomer #47CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(OC[C@H](O)[C@H](O)[C@@H]2O[C@](O)(C(=O)O)C[C@H](O)C2NC(=O)CO)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O5245.9Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TBDMS,isomer #48CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OC[C@H](O)[C@H](O)[C@@H]3O[C@](O)(C(=O)O)C[C@H](O)C3NC(=O)CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C15290.2Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TBDMS,isomer #49CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OC[C@H](O)[C@H](O)[C@@H]2O[C@](O)(C(=O)O)C[C@H](O)C2N(C(=O)CO)[Si](C)(C)C(C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O5168.7Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)[C@]1(O)C[C@H](O)C(NC(=O)CO)[C@H]([C@@H](O)[C@H](COP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C(C)(C)C)O15171.1Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TBDMS,isomer #50CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(OC[C@H](O)[C@H](O)[C@@H]2O[C@](O)(C(=O)O)C[C@H](O)C2NC(=O)CO)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=CC(N)=NC1=O5239.2Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TBDMS,isomer #51CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OC[C@H](O)[C@H](O)[C@@H]3O[C@](O)(C(=O)O)C[C@H](O)C3NC(=O)CO)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C15281.9Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TBDMS,isomer #52CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OC[C@H](O)[C@H](O)[C@@H]2O[C@](O)(C(=O)O)C[C@H](O)C2N(C(=O)CO)[Si](C)(C)C(C)(C)C)O[C@H]1N1C=CC(N)=NC1=O5162.5Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TBDMS,isomer #53CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(OC[C@H](O)[C@H](O)[C@@H]3O[C@](O)(C(=O)O)C[C@H](O)C3NC(=O)CO)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O)C=C15410.2Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TBDMS,isomer #54CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H](O)[C@H](O)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O)C1N(C(=O)CO)[Si](C)(C)C(C)(C)C)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O5265.2Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TBDMS,isomer #55CC(C)(C)[Si](C)(C)N(C1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OC[C@H](O)[C@H](O)[C@@H]3O[C@](O)(C(=O)O)C[C@H](O)C3NC(=O)CO)[C@@H](O)[C@H]2O)C=C1)[Si](C)(C)C(C)(C)C5225.6Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TBDMS,isomer #56CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OC[C@H](O)[C@H](O)[C@@H]3O[C@](O)(C(=O)O)C[C@H](O)C3N(C(=O)CO)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O)C=C15341.5Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@H]1C[C@@](O)(C(=O)O)O[C@@H]([C@@H](O)[C@H](COP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C(C)(C)C)C1NC(=O)CO5173.4Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OCC(=O)NC1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1[C@@H](O)[C@H](COP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C5159.1Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)O[C@@H](COP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O)C1NC(=O)CO5254.8Semi standard non polar33892256
CMP-N-glycoloylneuraminate,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]3O[C@](O)(C(=O)O)C[C@H](O)C3NC(=O)CO)[C@@H](O)[C@H]2O)C=C15311.8Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - CMP-N-glycoloylneuraminate GC-MS (Non-derivatized) - 70eV, Positivesplash10-03y0-2339634000-dfbf60ceffde2a26e4452017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - CMP-N-glycoloylneuraminate GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - CMP-N-glycoloylneuraminate GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - CMP-N-glycoloylneuraminate GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - CMP-N-glycoloylneuraminate GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - CMP-N-glycoloylneuraminate GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - CMP-N-glycoloylneuraminate GC-MS (TMS_1_6) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - CMP-N-glycoloylneuraminate GC-MS (TMS_1_7) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - CMP-N-glycoloylneuraminate GC-MS (TMS_1_8) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - CMP-N-glycoloylneuraminate GC-MS (TMS_1_9) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - CMP-N-glycoloylneuraminate GC-MS (TMS_1_10) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - CMP-N-glycoloylneuraminate GC-MS (TMS_1_11) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - CMP-N-glycoloylneuraminate GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - CMP-N-glycoloylneuraminate GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - CMP-N-glycoloylneuraminate GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - CMP-N-glycoloylneuraminate GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - CMP-N-glycoloylneuraminate GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - CMP-N-glycoloylneuraminate GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - CMP-N-glycoloylneuraminate GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - CMP-N-glycoloylneuraminate GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - CMP-N-glycoloylneuraminate GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - CMP-N-glycoloylneuraminate GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - CMP-N-glycoloylneuraminate GC-MS (TMS_2_11) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - CMP-N-glycoloylneuraminate GC-MS (TMS_2_12) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - CMP-N-glycoloylneuraminate GC-MS (TMS_2_13) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - CMP-N-glycoloylneuraminate 10V, Positive-QTOFsplash10-03di-0910002000-d4f1e52062015dc10b7f2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - CMP-N-glycoloylneuraminate 20V, Positive-QTOFsplash10-03di-2910000000-2d4cb8ba80ae2d1461662017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - CMP-N-glycoloylneuraminate 40V, Positive-QTOFsplash10-03di-3930000000-8a1620c372f90002ef9b2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - CMP-N-glycoloylneuraminate 10V, Negative-QTOFsplash10-03dj-0943723000-7d8efafe708e2fdb94252017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - CMP-N-glycoloylneuraminate 20V, Negative-QTOFsplash10-000i-9212000000-ad5d3dc896e26dbec3da2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - CMP-N-glycoloylneuraminate 40V, Negative-QTOFsplash10-01t9-9301000000-aa2110890252b1fb83882017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - CMP-N-glycoloylneuraminate 10V, Negative-QTOFsplash10-004i-0001019000-a1f6a1653050af73187c2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - CMP-N-glycoloylneuraminate 20V, Negative-QTOFsplash10-01ta-9103362000-1b08ef836093e179cd762021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - CMP-N-glycoloylneuraminate 40V, Negative-QTOFsplash10-002u-9701210000-f0cd86fffb2fb17d84fd2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - CMP-N-glycoloylneuraminate 10V, Positive-QTOFsplash10-03di-0900005000-3f1af9de1ed9e36d01b02021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - CMP-N-glycoloylneuraminate 20V, Positive-QTOFsplash10-03di-1934141000-dfc8227cb9856499e7782021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - CMP-N-glycoloylneuraminate 40V, Positive-QTOFsplash10-03di-2914200000-29d4f10326bd60eb9f972021-09-23Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB028851
KNApSAcK IDNot Available
Chemspider ID35032415
KEGG Compound IDC03691
BioCyc IDCPD-262
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound53481387
PDB IDNot Available
ChEBI ID18098
Food Biomarker OntologyNot Available
VMH IDHC01162
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available

Enzymes

Enzyme Details
1. N-acylneuraminate cytidylyltransferase
General function:
Involved in lipopolysaccharide biosynthetic process
Specific function:
Catalyzes the activation of N-acetylneuraminic acid (NeuNAc) to cytidine 5'-monophosphate N-acetylneuraminic acid (CMP-NeuNAc), a substrate required for the addition of sialic acid. Has some activity toward NeuNAc, N-glycolylneuraminic acid (Neu5Gc) or 2-keto-3-deoxy-D-glycero-D-galacto-nononic acid (KDN).
Gene Name:
CMAS
Uniprot ID:
Q8NFW8
Molecular weight:
48378.835
Reactions
Cytidine triphosphate + N-Glycolylneuraminic acid → Pyrophosphate + CMP-N-glycoloylneuraminatedetails