Hmdb loader

Showing metabocard for 6-Methylthioguanosine monophosphate (HMDB0060413)

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enzymes (1) Show 1 protein
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2013-05-17 01:00:51 UTC
Update Date2021-09-14 14:58:45 UTC
HMDB IDHMDB0060413
Secondary Accession Numbers
  • HMDB60413
Metabolite Identification
Common Name6-Methylthioguanosine monophosphate
Description6-Methylthioguanosine monophosphate belongs to the class of organic compounds known as purine ribonucleoside triphosphates. These are purine ribobucleotides with a triphosphate group linked to the ribose moiety. Tioguanine, formerly thioguanine, is a drug that is used in the treatment of cancer. 6-Methylthioguanosine monophosphate is a very strong basic compound (based on its pKa). 6-Methylthioguanosine monophosphate exists in all living organisms, ranging from bacteria to humans. 6-Methylthioguanosine monophosphate is a metabolite of tioguanine. It is a guanine analog.
Structure
Data?1563866057
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0060413 (6-Methylthioguanosine monophosphate)


  Mrv0541 05161318002D          

 25 27  0  0  0  0            999 V2000
    2.0701    1.3646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8505   -3.7149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6284   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1831   -3.2299    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6411   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3984   -3.4849    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0865   -2.8174    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6411   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3984   -2.1500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0701   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845   -1.5229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -0.0305    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -1.5229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -0.2854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -1.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -4.2695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9115   -2.8174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9391   -4.3492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7565   -3.1968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7867   -4.5317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6042   -3.3793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1831   -2.4049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2716   -3.8642    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.9521    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  4  2  1  1  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  5  2  0  0  0  0
  9  5  1  0  0  0  0
 10  7  1  0  0  0  0
 12 11  2  0  0  0  0
 13  3  2  0  0  0  0
 13  5  1  0  0  0  0
 14  8  1  0  0  0  0
 14 11  1  0  0  0  0
 15  9  2  0  0  0  0
 15 11  1  0  0  0  0
 16  3  1  0  0  0  0
 16  8  1  0  0  0  0
 10 16  1  1  0  0  0
  6 17  1  6  0  0  0
  7 18  1  6  0  0  0
 22  2  1  0  0  0  0
 23  4  1  0  0  0  0
 23 10  1  0  0  0  0
 24 19  1  0  0  0  0
 24 20  1  0  0  0  0
 24 21  2  0  0  0  0
 24 22  1  0  0  0  0
 25  1  1  0  0  0  0
 25  9  1  0  0  0  0
M  END
Download

3D MOL for HMDB0060413 (6-Methylthioguanosine monophosphate)

HMDB0060413
     RDKit          3D
6-Methylthioguanosine monophosphate
 41 43  0  0  0  0  0  0  0  0999 V2000
   -6.4051    0.1193   -0.9304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8007   -1.5138   -0.4516 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0297   -1.5024   -0.1963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4516   -2.6620    0.1652 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1183   -2.6426    0.3548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5304   -3.7265    0.6997 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3810   -1.5249    0.1949 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9323   -0.3462   -0.1673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3176   -0.3424   -0.3701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6146    0.9162   -0.7143 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5064    1.6807   -0.7358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4724    0.8944   -0.3971 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1091    1.3181   -0.2998 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7900    0.3536   -0.7527 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9829    0.7466   -0.2004 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0846   -0.2717   -0.3568 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2238    0.2626    0.2473 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5491   -0.7668    0.1536 P   0  0  0  0  0  5  0  0  0  0  0  0
    5.7681   -1.3643    1.5289 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9506    0.0604   -0.2633 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2214   -2.0398   -0.9304 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6048    0.8835    1.2783 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5288    1.6126    1.9849 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2725    1.6282    1.1311 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5626    2.9978    1.2028 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4337    0.0161   -1.3329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4850    0.7683   -0.0254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7930    0.5803   -1.7298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0541   -4.6208    0.8373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3456   -1.5132    0.3429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5327    2.7299   -0.9905 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0394    2.2170   -0.9673 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2789    1.7311   -0.5557 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8159   -1.2627    0.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2757   -0.3576   -1.4586 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8283    0.6667   -1.0386 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8811   -1.6064   -1.7620 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4213   -0.1260    1.6930 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6163    1.1785    2.8925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4662    1.3072    1.8649 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0834    3.5211    0.5159 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  2  3
  5  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 18 21  1  0
 15 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
  9  3  1  0
 24 13  1  0
 12  8  1  0
  1 26  1  0
  1 27  1  0
  1 28  1  0
  6 29  1  0
  7 30  1  0
 11 31  1  0
 13 32  1  6
 15 33  1  6
 16 34  1  0
 16 35  1  0
 20 36  1  0
 21 37  1  0
 22 38  1  1
 23 39  1  0
 24 40  1  1
 25 41  1  0
M  END
Download

3D SDF for HMDB0060413 (6-Methylthioguanosine monophosphate)


  Mrv0541 05161318002D          

 25 27  0  0  0  0            999 V2000
    2.0701    1.3646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8505   -3.7149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6284   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1831   -3.2299    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6411   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3984   -3.4849    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0865   -2.8174    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6411   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3984   -2.1500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0701   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845   -1.5229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -0.0305    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -1.5229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -0.2854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -1.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -4.2695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9115   -2.8174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9391   -4.3492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7565   -3.1968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7867   -4.5317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6042   -3.3793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1831   -2.4049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2716   -3.8642    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.9521    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  4  2  1  1  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  5  2  0  0  0  0
  9  5  1  0  0  0  0
 10  7  1  0  0  0  0
 12 11  2  0  0  0  0
 13  3  2  0  0  0  0
 13  5  1  0  0  0  0
 14  8  1  0  0  0  0
 14 11  1  0  0  0  0
 15  9  2  0  0  0  0
 15 11  1  0  0  0  0
 16  3  1  0  0  0  0
 16  8  1  0  0  0  0
 10 16  1  1  0  0  0
  6 17  1  6  0  0  0
  7 18  1  6  0  0  0
 22  2  1  0  0  0  0
 23  4  1  0  0  0  0
 23 10  1  0  0  0  0
 24 19  1  0  0  0  0
 24 20  1  0  0  0  0
 24 21  2  0  0  0  0
 24 22  1  0  0  0  0
 25  1  1  0  0  0  0
 25  9  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0060413

> <DATABASE_NAME>
hmdb

> <SMILES>
CSC1=NC(=N)NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C11H16N5O7PS/c1-25-9-5-8(14-11(12)15-9)16(3-13-5)10-7(18)6(17)4(23-10)2-22-24(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1

> <INCHI_KEY>
QJRQZGPABIMRAZ-KQYNXXCUSA-N

> <FORMULA>
C11H16N5O7PS

> <MOLECULAR_WEIGHT>
393.313

> <EXACT_MASS>
393.050805093

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_AVERAGE_POLARIZABILITY>
35.11193429857628

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{[(2R,3S,4R,5R)-3,4-dihydroxy-5-[2-imino-6-(methylsulfanyl)-3,9-dihydro-2H-purin-9-yl]oxolan-2-yl]methoxy}phosphonic acid

> <ALOGPS_LOGP>
-1.21

> <JCHEM_LOGP>
-1.637251480203613

> <ALOGPS_LOGS>
-2.21

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.352400829783616

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.3300852250564779

> <JCHEM_PKA_STRONGEST_BASIC>
5.570884567540957

> <JCHEM_POLAR_SURFACE_AREA>
182.51

> <JCHEM_REFRACTIVITY>
96.85309999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.41e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[(2R,3S,4R,5R)-3,4-dihydroxy-5-[2-imino-6-(methylsulfanyl)-3H-purin-9-yl]oxolan-2-yl]methoxyphosphonic acid

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0060413 (6-Methylthioguanosine monophosphate)

HMDB0060413
     RDKit          3D
6-Methylthioguanosine monophosphate
 41 43  0  0  0  0  0  0  0  0999 V2000
   -6.4051    0.1193   -0.9304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8007   -1.5138   -0.4516 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0297   -1.5024   -0.1963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4516   -2.6620    0.1652 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1183   -2.6426    0.3548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5304   -3.7265    0.6997 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3810   -1.5249    0.1949 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9323   -0.3462   -0.1673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3176   -0.3424   -0.3701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6146    0.9162   -0.7143 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5064    1.6807   -0.7358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4724    0.8944   -0.3971 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1091    1.3181   -0.2998 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7900    0.3536   -0.7527 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9829    0.7466   -0.2004 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0846   -0.2717   -0.3568 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2238    0.2626    0.2473 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5491   -0.7668    0.1536 P   0  0  0  0  0  5  0  0  0  0  0  0
    5.7681   -1.3643    1.5289 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9506    0.0604   -0.2633 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2214   -2.0398   -0.9304 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6048    0.8835    1.2783 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5288    1.6126    1.9849 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2725    1.6282    1.1311 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5626    2.9978    1.2028 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4337    0.0161   -1.3329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4850    0.7683   -0.0254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7930    0.5803   -1.7298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0541   -4.6208    0.8373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3456   -1.5132    0.3429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5327    2.7299   -0.9905 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0394    2.2170   -0.9673 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2789    1.7311   -0.5557 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8159   -1.2627    0.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2757   -0.3576   -1.4586 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8283    0.6667   -1.0386 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8811   -1.6064   -1.7620 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4213   -0.1260    1.6930 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6163    1.1785    2.8925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4662    1.3072    1.8649 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0834    3.5211    0.5159 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  2  3
  5  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 18 21  1  0
 15 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
  9  3  1  0
 24 13  1  0
 12  8  1  0
  1 26  1  0
  1 27  1  0
  1 28  1  0
  6 29  1  0
  7 30  1  0
 11 31  1  0
 13 32  1  6
 15 33  1  6
 16 34  1  0
 16 35  1  0
 20 36  1  0
 21 37  1  0
 22 38  1  1
 23 39  1  0
 24 40  1  1
 25 41  1  0
M  END
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PDB for HMDB0060413 (6-Methylthioguanosine monophosphate)

HEADER    PROTEIN                                 16-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   16-MAY-13         0                                  
HETATM    1  C   UNK     0       3.864   2.547   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -3.454  -6.934   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.173  -1.303   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.208  -6.029   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.197  -0.533   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -0.744  -6.505   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.161  -5.259   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.197  -2.073   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.530   0.237   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -0.744  -4.013   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       3.864  -2.073   0.000  0.00  0.00           C+0
HETATM   12  N   UNK     0       5.198  -2.843   0.000  0.00  0.00           N+0
HETATM   13  N   UNK     0      -0.268  -0.057   0.000  0.00  0.00           N+0
HETATM   14  N   UNK     0       2.530  -2.843   0.000  0.00  0.00           N+0
HETATM   15  N   UNK     0       3.864  -0.533   0.000  0.00  0.00           N+0
HETATM   16  N   UNK     0      -0.268  -2.549   0.000  0.00  0.00           N+0
HETATM   17  O   UNK     0      -0.268  -7.970   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0       1.701  -5.259   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      -7.353  -8.119   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      -7.012  -5.967   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      -5.202  -8.459   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      -4.861  -6.308   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      -2.208  -4.489   0.000  0.00  0.00           O+0
HETATM   24  P   UNK     0      -6.107  -7.213   0.000  0.00  0.00           P+0
HETATM   25  S   UNK     0       2.530   1.777   0.000  0.00  0.00           S+0
CONECT    1   25                                                            
CONECT    2    4   22                                                       
CONECT    3   13   16                                                       
CONECT    4    2    6   23                                                  
CONECT    5    8    9   13                                                  
CONECT    6    4    7   17                                                  
CONECT    7    6   10   18                                                  
CONECT    8    5   14   16                                                  
CONECT    9    5   15   25                                                  
CONECT   10    7   16   23                                                  
CONECT   11   12   14   15                                                  
CONECT   12   11                                                            
CONECT   13    3    5                                                       
CONECT   14    8   11                                                       
CONECT   15    9   11                                                       
CONECT   16    3    8   10                                                  
CONECT   17    6                                                            
CONECT   18    7                                                            
CONECT   19   24                                                            
CONECT   20   24                                                            
CONECT   21   24                                                            
CONECT   22    2   24                                                       
CONECT   23    4   10                                                       
CONECT   24   19   20   21   22                                             
CONECT   25    1    9                                                       
MASTER        0    0    0    0    0    0    0    0   25    0   54    0
END
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3D PDB for HMDB0060413 (6-Methylthioguanosine monophosphate)

COMPND    HMDB0060413
HETATM    1  C1  UNL     1      -6.405   0.119  -0.930  1.00  0.00           C  
HETATM    2  S1  UNL     1      -5.801  -1.514  -0.452  1.00  0.00           S  
HETATM    3  C2  UNL     1      -4.030  -1.502  -0.196  1.00  0.00           C  
HETATM    4  N1  UNL     1      -3.452  -2.662   0.165  1.00  0.00           N  
HETATM    5  C3  UNL     1      -2.118  -2.643   0.355  1.00  0.00           C  
HETATM    6  N2  UNL     1      -1.530  -3.727   0.700  1.00  0.00           N  
HETATM    7  N3  UNL     1      -1.381  -1.525   0.195  1.00  0.00           N  
HETATM    8  C4  UNL     1      -1.932  -0.346  -0.167  1.00  0.00           C  
HETATM    9  C5  UNL     1      -3.318  -0.342  -0.370  1.00  0.00           C  
HETATM   10  N4  UNL     1      -3.615   0.916  -0.714  1.00  0.00           N  
HETATM   11  C6  UNL     1      -2.506   1.681  -0.736  1.00  0.00           C  
HETATM   12  N5  UNL     1      -1.472   0.894  -0.397  1.00  0.00           N  
HETATM   13  C7  UNL     1      -0.109   1.318  -0.300  1.00  0.00           C  
HETATM   14  O1  UNL     1       0.790   0.354  -0.753  1.00  0.00           O  
HETATM   15  C8  UNL     1       1.983   0.747  -0.200  1.00  0.00           C  
HETATM   16  C9  UNL     1       3.085  -0.272  -0.357  1.00  0.00           C  
HETATM   17  O2  UNL     1       4.224   0.263   0.247  1.00  0.00           O  
HETATM   18  P1  UNL     1       5.549  -0.767   0.154  1.00  0.00           P  
HETATM   19  O3  UNL     1       5.768  -1.364   1.529  1.00  0.00           O  
HETATM   20  O4  UNL     1       6.951   0.060  -0.263  1.00  0.00           O  
HETATM   21  O5  UNL     1       5.221  -2.040  -0.930  1.00  0.00           O  
HETATM   22  C10 UNL     1       1.605   0.884   1.278  1.00  0.00           C  
HETATM   23  O6  UNL     1       2.529   1.613   1.985  1.00  0.00           O  
HETATM   24  C11 UNL     1       0.272   1.628   1.131  1.00  0.00           C  
HETATM   25  O7  UNL     1       0.563   2.998   1.203  1.00  0.00           O  
HETATM   26  H1  UNL     1      -7.434   0.016  -1.333  1.00  0.00           H  
HETATM   27  H2  UNL     1      -6.485   0.768  -0.025  1.00  0.00           H  
HETATM   28  H3  UNL     1      -5.793   0.580  -1.730  1.00  0.00           H  
HETATM   29  H4  UNL     1      -2.054  -4.621   0.837  1.00  0.00           H  
HETATM   30  H5  UNL     1      -0.346  -1.513   0.343  1.00  0.00           H  
HETATM   31  H6  UNL     1      -2.533   2.730  -0.991  1.00  0.00           H  
HETATM   32  H7  UNL     1       0.039   2.217  -0.967  1.00  0.00           H  
HETATM   33  H8  UNL     1       2.279   1.731  -0.556  1.00  0.00           H  
HETATM   34  H9  UNL     1       2.816  -1.263   0.001  1.00  0.00           H  
HETATM   35  H10 UNL     1       3.276  -0.358  -1.459  1.00  0.00           H  
HETATM   36  H11 UNL     1       6.828   0.667  -1.039  1.00  0.00           H  
HETATM   37  H12 UNL     1       4.881  -1.606  -1.762  1.00  0.00           H  
HETATM   38  H13 UNL     1       1.421  -0.126   1.693  1.00  0.00           H  
HETATM   39  H14 UNL     1       2.616   1.178   2.892  1.00  0.00           H  
HETATM   40  H15 UNL     1      -0.466   1.307   1.865  1.00  0.00           H  
HETATM   41  H16 UNL     1       0.083   3.521   0.516  1.00  0.00           H  
CONECT    1    2   26   27   28
CONECT    2    3
CONECT    3    4    4    9
CONECT    4    5
CONECT    5    6    6    7
CONECT    6   29
CONECT    7    8   30
CONECT    8    9    9   12
CONECT    9   10
CONECT   10   11   11
CONECT   11   12   31
CONECT   12   13
CONECT   13   14   24   32
CONECT   14   15
CONECT   15   16   22   33
CONECT   16   17   34   35
CONECT   17   18
CONECT   18   19   19   20   21
CONECT   20   36
CONECT   21   37
CONECT   22   23   24   38
CONECT   23   39
CONECT   24   25   40
CONECT   25   41
END
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SMILES for HMDB0060413 (6-Methylthioguanosine monophosphate)

CSC1=NC(=N)NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O
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INCHI for HMDB0060413 (6-Methylthioguanosine monophosphate)

InChI=1S/C11H16N5O7PS/c1-25-9-5-8(14-11(12)15-9)16(3-13-5)10-7(18)6(17)4(23-10)2-22-24(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
6-Methylthioguanosine monophosphoric acidGenerator
Chemical FormulaC11H16N5O7PS
Average Molecular Weight393.313
Monoisotopic Molecular Weight393.050805093
IUPAC Name{[(2R,3S,4R,5R)-3,4-dihydroxy-5-[2-imino-6-(methylsulfanyl)-3,9-dihydro-2H-purin-9-yl]oxolan-2-yl]methoxy}phosphonic acid
Traditional Name[(2R,3S,4R,5R)-3,4-dihydroxy-5-[2-imino-6-(methylsulfanyl)-3H-purin-9-yl]oxolan-2-yl]methoxyphosphonic acid
CAS Registry NumberNot Available
SMILES
CSC1=NC(=N)NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O
InChI Identifier
InChI=1S/C11H16N5O7PS/c1-25-9-5-8(14-11(12)15-9)16(3-13-5)10-7(18)6(17)4(23-10)2-22-24(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1
InChI KeyQJRQZGPABIMRAZ-KQYNXXCUSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as purine ribonucleoside triphosphates. These are purine ribobucleotides with a triphosphate group linked to the ribose moiety.
KingdomOrganic compounds
Super ClassNucleosides, nucleotides, and analogues
ClassPurine nucleotides
Sub ClassPurine ribonucleotides
Direct ParentPurine ribonucleoside triphosphates
Alternative Parents
Substituents
  • Purine ribonucleoside triphosphate
  • Purine ribonucleoside monophosphate
  • Pentose phosphate
  • Pentose-5-phosphate
  • Glycosyl compound
  • N-glycosyl compound
  • Monosaccharide phosphate
  • Purinethione
  • Imidazopyrimidine
  • Purine
  • Monoalkyl phosphate
  • Pyrimidinethione
  • Alkyl phosphate
  • Pyrimidine
  • Phosphoric acid ester
  • Monosaccharide
  • N-substituted imidazole
  • Organic phosphoric acid derivative
  • Tetrahydrofuran
  • Azole
  • Imidazole
  • Heteroaromatic compound
  • Secondary alcohol
  • 1,2-diol
  • Organoheterocyclic compound
  • Azacycle
  • Oxacycle
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Organic oxygen compound
  • Organic nitrogen compound
  • Alcohol
  • Organosulfur compound
  • Organooxygen compound
  • Organonitrogen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Biological locationSource
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
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 Solubility2.41 g/LALOGPS
logP-1.2ALOGPS
logP-1.6ChemAxon
logS-2.2ALOGPS
pKa (Strongest Acidic)1.33ChemAxon
pKa (Strongest Basic)5.57ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count10ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area182.51 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity96.85 m³·mol⁻¹ChemAxon
Polarizability35.11 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+186.67931661259
DarkChem[M-H]-185.66631661259
DeepCCS[M+H]+171.2530932474
DeepCCS[M-H]-168.85430932474
DeepCCS[M-2H]-202.31130932474
DeepCCS[M+Na]+178.18730932474
AllCCS[M+H]+184.932859911
AllCCS[M+H-H2O]+182.332859911
AllCCS[M+NH4]+187.232859911
AllCCS[M+Na]+187.932859911
AllCCS[M-H]-177.432859911
AllCCS[M+Na-2H]-177.432859911
AllCCS[M+HCOO]-177.432859911

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, 2022.2.75 minutes32390414
Predicted by Siyang on May 30, 202210.0436 minutes33406817
Predicted by Siyang using ReTip algorithm on June 8, 20228.52 minutes32390414
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid619.7 seconds40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid228.8 seconds40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid52.8 seconds40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid158.7 seconds40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid54.1 seconds40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid324.8 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 Acid272.6 seconds40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)780.7 seconds40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid604.0 seconds40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid90.7 seconds40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid720.2 seconds40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid167.0 seconds40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid173.5 seconds40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate678.6 seconds40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA448.0 seconds40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water458.6 seconds40023050

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
6-Methylthioguanosine monophosphateCSC1=NC(=N)NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O4678.3Standard polar33892256
6-Methylthioguanosine monophosphateCSC1=NC(=N)NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O3014.8Standard non polar33892256
6-Methylthioguanosine monophosphateCSC1=NC(=N)NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O3703.8Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
6-Methylthioguanosine monophosphate,1TMS,isomer #1CSC1=NC(=N)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O3265.4Semi standard non polar33892256
6-Methylthioguanosine monophosphate,1TMS,isomer #2CSC1=NC(=N)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C3242.6Semi standard non polar33892256
6-Methylthioguanosine monophosphate,1TMS,isomer #3CSC1=NC(=N)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O3395.7Semi standard non polar33892256
6-Methylthioguanosine monophosphate,1TMS,isomer #4CSC1=NC(=N[Si](C)(C)C)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O3293.0Semi standard non polar33892256
6-Methylthioguanosine monophosphate,1TMS,isomer #5CSC1=NC(=N)N([Si](C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O3310.7Semi standard non polar33892256
6-Methylthioguanosine monophosphate,2TMS,isomer #1CSC1=NC(=N)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3172.3Semi standard non polar33892256
6-Methylthioguanosine monophosphate,2TMS,isomer #10CSC1=NC(=N)N([Si](C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O3367.6Semi standard non polar33892256
6-Methylthioguanosine monophosphate,2TMS,isomer #11CSC1=NC(=N[Si](C)(C)C)N([Si](C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O3304.0Semi standard non polar33892256
6-Methylthioguanosine monophosphate,2TMS,isomer #2CSC1=NC(=N)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O3329.3Semi standard non polar33892256
6-Methylthioguanosine monophosphate,2TMS,isomer #3CSC1=NC(=N[Si](C)(C)C)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O3163.2Semi standard non polar33892256
6-Methylthioguanosine monophosphate,2TMS,isomer #4CSC1=NC(=N)N([Si](C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O3247.6Semi standard non polar33892256
6-Methylthioguanosine monophosphate,2TMS,isomer #5CSC1=NC(=N)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C3311.2Semi standard non polar33892256
6-Methylthioguanosine monophosphate,2TMS,isomer #6CSC1=NC(=N[Si](C)(C)C)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C3148.8Semi standard non polar33892256
6-Methylthioguanosine monophosphate,2TMS,isomer #7CSC1=NC(=N)N([Si](C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C3225.9Semi standard non polar33892256
6-Methylthioguanosine monophosphate,2TMS,isomer #8CSC1=NC(=N)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O3389.5Semi standard non polar33892256
6-Methylthioguanosine monophosphate,2TMS,isomer #9CSC1=NC(=N[Si](C)(C)C)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O3266.0Semi standard non polar33892256
6-Methylthioguanosine monophosphate,3TMS,isomer #1CSC1=NC(=N)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3281.7Semi standard non polar33892256
6-Methylthioguanosine monophosphate,3TMS,isomer #1CSC1=NC(=N)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3218.7Standard non polar33892256
6-Methylthioguanosine monophosphate,3TMS,isomer #1CSC1=NC(=N)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C4999.9Standard polar33892256
6-Methylthioguanosine monophosphate,3TMS,isomer #10CSC1=NC(=N)N([Si](C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C3293.5Semi standard non polar33892256
6-Methylthioguanosine monophosphate,3TMS,isomer #10CSC1=NC(=N)N([Si](C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C3428.1Standard non polar33892256
6-Methylthioguanosine monophosphate,3TMS,isomer #10CSC1=NC(=N)N([Si](C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C5100.6Standard polar33892256
6-Methylthioguanosine monophosphate,3TMS,isomer #11CSC1=NC(=N[Si](C)(C)C)N([Si](C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C3199.3Semi standard non polar33892256
6-Methylthioguanosine monophosphate,3TMS,isomer #11CSC1=NC(=N[Si](C)(C)C)N([Si](C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C3525.0Standard non polar33892256
6-Methylthioguanosine monophosphate,3TMS,isomer #11CSC1=NC(=N[Si](C)(C)C)N([Si](C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C5411.2Standard polar33892256
6-Methylthioguanosine monophosphate,3TMS,isomer #12CSC1=NC(=N[Si](C)(C)C)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O3264.2Semi standard non polar33892256
6-Methylthioguanosine monophosphate,3TMS,isomer #12CSC1=NC(=N[Si](C)(C)C)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O3498.1Standard non polar33892256
6-Methylthioguanosine monophosphate,3TMS,isomer #12CSC1=NC(=N[Si](C)(C)C)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O4807.2Standard polar33892256
6-Methylthioguanosine monophosphate,3TMS,isomer #13CSC1=NC(=N)N([Si](C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O3362.3Semi standard non polar33892256
6-Methylthioguanosine monophosphate,3TMS,isomer #13CSC1=NC(=N)N([Si](C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O3437.9Standard non polar33892256
6-Methylthioguanosine monophosphate,3TMS,isomer #13CSC1=NC(=N)N([Si](C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O4896.5Standard polar33892256
6-Methylthioguanosine monophosphate,3TMS,isomer #14CSC1=NC(=N[Si](C)(C)C)N([Si](C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O3323.3Semi standard non polar33892256
6-Methylthioguanosine monophosphate,3TMS,isomer #14CSC1=NC(=N[Si](C)(C)C)N([Si](C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O3466.2Standard non polar33892256
6-Methylthioguanosine monophosphate,3TMS,isomer #14CSC1=NC(=N[Si](C)(C)C)N([Si](C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O5103.5Standard polar33892256
6-Methylthioguanosine monophosphate,3TMS,isomer #2CSC1=NC(=N[Si](C)(C)C)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3109.3Semi standard non polar33892256
6-Methylthioguanosine monophosphate,3TMS,isomer #2CSC1=NC(=N[Si](C)(C)C)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3554.6Standard non polar33892256
6-Methylthioguanosine monophosphate,3TMS,isomer #2CSC1=NC(=N[Si](C)(C)C)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C5340.5Standard polar33892256
6-Methylthioguanosine monophosphate,3TMS,isomer #3CSC1=NC(=N)N([Si](C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3163.5Semi standard non polar33892256
6-Methylthioguanosine monophosphate,3TMS,isomer #3CSC1=NC(=N)N([Si](C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3435.2Standard non polar33892256
6-Methylthioguanosine monophosphate,3TMS,isomer #3CSC1=NC(=N)N([Si](C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C5439.8Standard polar33892256
6-Methylthioguanosine monophosphate,3TMS,isomer #4CSC1=NC(=N)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O3338.9Semi standard non polar33892256
6-Methylthioguanosine monophosphate,3TMS,isomer #4CSC1=NC(=N)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O3224.3Standard non polar33892256
6-Methylthioguanosine monophosphate,3TMS,isomer #4CSC1=NC(=N)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O4739.7Standard polar33892256
6-Methylthioguanosine monophosphate,3TMS,isomer #5CSC1=NC(=N[Si](C)(C)C)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O3215.0Semi standard non polar33892256
6-Methylthioguanosine monophosphate,3TMS,isomer #5CSC1=NC(=N[Si](C)(C)C)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O3492.2Standard non polar33892256
6-Methylthioguanosine monophosphate,3TMS,isomer #5CSC1=NC(=N[Si](C)(C)C)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O4996.5Standard polar33892256
6-Methylthioguanosine monophosphate,3TMS,isomer #6CSC1=NC(=N)N([Si](C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O3310.7Semi standard non polar33892256
6-Methylthioguanosine monophosphate,3TMS,isomer #6CSC1=NC(=N)N([Si](C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O3421.5Standard non polar33892256
6-Methylthioguanosine monophosphate,3TMS,isomer #6CSC1=NC(=N)N([Si](C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O5082.5Standard polar33892256
6-Methylthioguanosine monophosphate,3TMS,isomer #7CSC1=NC(=N[Si](C)(C)C)N([Si](C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O3214.7Semi standard non polar33892256
6-Methylthioguanosine monophosphate,3TMS,isomer #7CSC1=NC(=N[Si](C)(C)C)N([Si](C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O3521.2Standard non polar33892256
6-Methylthioguanosine monophosphate,3TMS,isomer #7CSC1=NC(=N[Si](C)(C)C)N([Si](C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O5397.3Standard polar33892256
6-Methylthioguanosine monophosphate,3TMS,isomer #8CSC1=NC(=N)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C3320.5Semi standard non polar33892256
6-Methylthioguanosine monophosphate,3TMS,isomer #8CSC1=NC(=N)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C3225.8Standard non polar33892256
6-Methylthioguanosine monophosphate,3TMS,isomer #8CSC1=NC(=N)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C4775.3Standard polar33892256
6-Methylthioguanosine monophosphate,3TMS,isomer #9CSC1=NC(=N[Si](C)(C)C)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C3208.9Semi standard non polar33892256
6-Methylthioguanosine monophosphate,3TMS,isomer #9CSC1=NC(=N[Si](C)(C)C)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C3493.9Standard non polar33892256
6-Methylthioguanosine monophosphate,3TMS,isomer #9CSC1=NC(=N[Si](C)(C)C)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C5021.4Standard polar33892256
6-Methylthioguanosine monophosphate,4TMS,isomer #1CSC1=NC(=N)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3301.3Semi standard non polar33892256
6-Methylthioguanosine monophosphate,4TMS,isomer #1CSC1=NC(=N)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3140.1Standard non polar33892256
6-Methylthioguanosine monophosphate,4TMS,isomer #1CSC1=NC(=N)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C4516.0Standard polar33892256
6-Methylthioguanosine monophosphate,4TMS,isomer #10CSC1=NC(=N[Si](C)(C)C)N([Si](C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C3276.4Semi standard non polar33892256
6-Methylthioguanosine monophosphate,4TMS,isomer #10CSC1=NC(=N[Si](C)(C)C)N([Si](C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C3365.4Standard non polar33892256
6-Methylthioguanosine monophosphate,4TMS,isomer #10CSC1=NC(=N[Si](C)(C)C)N([Si](C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C4751.4Standard polar33892256
6-Methylthioguanosine monophosphate,4TMS,isomer #11CSC1=NC(=N[Si](C)(C)C)N([Si](C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O3327.7Semi standard non polar33892256
6-Methylthioguanosine monophosphate,4TMS,isomer #11CSC1=NC(=N[Si](C)(C)C)N([Si](C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O3353.6Standard non polar33892256
6-Methylthioguanosine monophosphate,4TMS,isomer #11CSC1=NC(=N[Si](C)(C)C)N([Si](C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O4559.6Standard polar33892256
6-Methylthioguanosine monophosphate,4TMS,isomer #2CSC1=NC(=N[Si](C)(C)C)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3206.1Semi standard non polar33892256
6-Methylthioguanosine monophosphate,4TMS,isomer #2CSC1=NC(=N[Si](C)(C)C)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3410.4Standard non polar33892256
6-Methylthioguanosine monophosphate,4TMS,isomer #2CSC1=NC(=N[Si](C)(C)C)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C4724.8Standard polar33892256
6-Methylthioguanosine monophosphate,4TMS,isomer #3CSC1=NC(=N)N([Si](C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3281.9Semi standard non polar33892256
6-Methylthioguanosine monophosphate,4TMS,isomer #3CSC1=NC(=N)N([Si](C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3310.9Standard non polar33892256
6-Methylthioguanosine monophosphate,4TMS,isomer #3CSC1=NC(=N)N([Si](C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C4804.3Standard polar33892256
6-Methylthioguanosine monophosphate,4TMS,isomer #4CSC1=NC(=N[Si](C)(C)C)N([Si](C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3176.3Semi standard non polar33892256
6-Methylthioguanosine monophosphate,4TMS,isomer #4CSC1=NC(=N[Si](C)(C)C)N([Si](C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3438.0Standard non polar33892256
6-Methylthioguanosine monophosphate,4TMS,isomer #4CSC1=NC(=N[Si](C)(C)C)N([Si](C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C5016.1Standard polar33892256
6-Methylthioguanosine monophosphate,4TMS,isomer #5CSC1=NC(=N[Si](C)(C)C)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O3248.9Semi standard non polar33892256
6-Methylthioguanosine monophosphate,4TMS,isomer #5CSC1=NC(=N[Si](C)(C)C)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O3398.6Standard non polar33892256
6-Methylthioguanosine monophosphate,4TMS,isomer #5CSC1=NC(=N[Si](C)(C)C)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O4470.2Standard polar33892256
6-Methylthioguanosine monophosphate,4TMS,isomer #6CSC1=NC(=N)N([Si](C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O3338.1Semi standard non polar33892256
6-Methylthioguanosine monophosphate,4TMS,isomer #6CSC1=NC(=N)N([Si](C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O3293.2Standard non polar33892256
6-Methylthioguanosine monophosphate,4TMS,isomer #6CSC1=NC(=N)N([Si](C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O4552.6Standard polar33892256
6-Methylthioguanosine monophosphate,4TMS,isomer #7CSC1=NC(=N[Si](C)(C)C)N([Si](C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O3288.3Semi standard non polar33892256
6-Methylthioguanosine monophosphate,4TMS,isomer #7CSC1=NC(=N[Si](C)(C)C)N([Si](C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O3365.6Standard non polar33892256
6-Methylthioguanosine monophosphate,4TMS,isomer #7CSC1=NC(=N[Si](C)(C)C)N([Si](C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O4732.5Standard polar33892256
6-Methylthioguanosine monophosphate,4TMS,isomer #8CSC1=NC(=N[Si](C)(C)C)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C3242.3Semi standard non polar33892256
6-Methylthioguanosine monophosphate,4TMS,isomer #8CSC1=NC(=N[Si](C)(C)C)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C3403.1Standard non polar33892256
6-Methylthioguanosine monophosphate,4TMS,isomer #8CSC1=NC(=N[Si](C)(C)C)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C4508.1Standard polar33892256
6-Methylthioguanosine monophosphate,4TMS,isomer #9CSC1=NC(=N)N([Si](C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C3328.3Semi standard non polar33892256
6-Methylthioguanosine monophosphate,4TMS,isomer #9CSC1=NC(=N)N([Si](C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C3299.1Standard non polar33892256
6-Methylthioguanosine monophosphate,4TMS,isomer #9CSC1=NC(=N)N([Si](C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C4584.5Standard polar33892256
6-Methylthioguanosine monophosphate,5TMS,isomer #1CSC1=NC(=N[Si](C)(C)C)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3261.2Semi standard non polar33892256
6-Methylthioguanosine monophosphate,5TMS,isomer #1CSC1=NC(=N[Si](C)(C)C)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3316.5Standard non polar33892256
6-Methylthioguanosine monophosphate,5TMS,isomer #1CSC1=NC(=N[Si](C)(C)C)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C4252.5Standard polar33892256
6-Methylthioguanosine monophosphate,5TMS,isomer #2CSC1=NC(=N)N([Si](C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3337.0Semi standard non polar33892256
6-Methylthioguanosine monophosphate,5TMS,isomer #2CSC1=NC(=N)N([Si](C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3191.2Standard non polar33892256
6-Methylthioguanosine monophosphate,5TMS,isomer #2CSC1=NC(=N)N([Si](C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C4322.4Standard polar33892256
6-Methylthioguanosine monophosphate,5TMS,isomer #3CSC1=NC(=N[Si](C)(C)C)N([Si](C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3281.6Semi standard non polar33892256
6-Methylthioguanosine monophosphate,5TMS,isomer #3CSC1=NC(=N[Si](C)(C)C)N([Si](C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3288.7Standard non polar33892256
6-Methylthioguanosine monophosphate,5TMS,isomer #3CSC1=NC(=N[Si](C)(C)C)N([Si](C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C4426.9Standard polar33892256
6-Methylthioguanosine monophosphate,5TMS,isomer #4CSC1=NC(=N[Si](C)(C)C)N([Si](C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O3321.8Semi standard non polar33892256
6-Methylthioguanosine monophosphate,5TMS,isomer #4CSC1=NC(=N[Si](C)(C)C)N([Si](C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O3266.7Standard non polar33892256
6-Methylthioguanosine monophosphate,5TMS,isomer #4CSC1=NC(=N[Si](C)(C)C)N([Si](C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O4218.6Standard polar33892256
6-Methylthioguanosine monophosphate,5TMS,isomer #5CSC1=NC(=N[Si](C)(C)C)N([Si](C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C3314.6Semi standard non polar33892256
6-Methylthioguanosine monophosphate,5TMS,isomer #5CSC1=NC(=N[Si](C)(C)C)N([Si](C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C3268.3Standard non polar33892256
6-Methylthioguanosine monophosphate,5TMS,isomer #5CSC1=NC(=N[Si](C)(C)C)N([Si](C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C4253.1Standard polar33892256
6-Methylthioguanosine monophosphate,6TMS,isomer #1CSC1=NC(=N[Si](C)(C)C)N([Si](C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3339.7Semi standard non polar33892256
6-Methylthioguanosine monophosphate,6TMS,isomer #1CSC1=NC(=N[Si](C)(C)C)N([Si](C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3196.5Standard non polar33892256
6-Methylthioguanosine monophosphate,6TMS,isomer #1CSC1=NC(=N[Si](C)(C)C)N([Si](C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C4020.3Standard polar33892256
6-Methylthioguanosine monophosphate,1TBDMS,isomer #1CSC1=NC(=N)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O3515.5Semi standard non polar33892256
6-Methylthioguanosine monophosphate,1TBDMS,isomer #2CSC1=NC(=N)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C3491.9Semi standard non polar33892256
6-Methylthioguanosine monophosphate,1TBDMS,isomer #3CSC1=NC(=N)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O3625.5Semi standard non polar33892256
6-Methylthioguanosine monophosphate,1TBDMS,isomer #4CSC1=NC(=N[Si](C)(C)C(C)(C)C)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O3542.6Semi standard non polar33892256
6-Methylthioguanosine monophosphate,1TBDMS,isomer #5CSC1=NC(=N)N([Si](C)(C)C(C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O3532.9Semi standard non polar33892256
6-Methylthioguanosine monophosphate,2TBDMS,isomer #1CSC1=NC(=N)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C3594.2Semi standard non polar33892256
6-Methylthioguanosine monophosphate,2TBDMS,isomer #10CSC1=NC(=N)N([Si](C)(C)C(C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O3765.5Semi standard non polar33892256
6-Methylthioguanosine monophosphate,2TBDMS,isomer #11CSC1=NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O3691.3Semi standard non polar33892256
6-Methylthioguanosine monophosphate,2TBDMS,isomer #2CSC1=NC(=N)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O3723.1Semi standard non polar33892256
6-Methylthioguanosine monophosphate,2TBDMS,isomer #3CSC1=NC(=N[Si](C)(C)C(C)(C)C)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O3603.1Semi standard non polar33892256
6-Methylthioguanosine monophosphate,2TBDMS,isomer #4CSC1=NC(=N)N([Si](C)(C)C(C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O3688.3Semi standard non polar33892256
6-Methylthioguanosine monophosphate,2TBDMS,isomer #5CSC1=NC(=N)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C3699.0Semi standard non polar33892256
6-Methylthioguanosine monophosphate,2TBDMS,isomer #6CSC1=NC(=N[Si](C)(C)C(C)(C)C)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C3592.2Semi standard non polar33892256
6-Methylthioguanosine monophosphate,2TBDMS,isomer #7CSC1=NC(=N)N([Si](C)(C)C(C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C3663.1Semi standard non polar33892256
6-Methylthioguanosine monophosphate,2TBDMS,isomer #8CSC1=NC(=N)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O3772.2Semi standard non polar33892256
6-Methylthioguanosine monophosphate,2TBDMS,isomer #9CSC1=NC(=N[Si](C)(C)C(C)(C)C)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O3685.5Semi standard non polar33892256
6-Methylthioguanosine monophosphate,3TBDMS,isomer #1CSC1=NC(=N)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C3802.8Semi standard non polar33892256
6-Methylthioguanosine monophosphate,3TBDMS,isomer #1CSC1=NC(=N)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C3781.7Standard non polar33892256
6-Methylthioguanosine monophosphate,3TBDMS,isomer #1CSC1=NC(=N)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C5093.7Standard polar33892256
6-Methylthioguanosine monophosphate,3TBDMS,isomer #10CSC1=NC(=N)N([Si](C)(C)C(C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C3858.3Semi standard non polar33892256
6-Methylthioguanosine monophosphate,3TBDMS,isomer #10CSC1=NC(=N)N([Si](C)(C)C(C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C3889.1Standard non polar33892256
6-Methylthioguanosine monophosphate,3TBDMS,isomer #10CSC1=NC(=N)N([Si](C)(C)C(C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C5086.0Standard polar33892256
6-Methylthioguanosine monophosphate,3TBDMS,isomer #11CSC1=NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C3796.9Semi standard non polar33892256
6-Methylthioguanosine monophosphate,3TBDMS,isomer #11CSC1=NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4048.8Standard non polar33892256
6-Methylthioguanosine monophosphate,3TBDMS,isomer #11CSC1=NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C5267.3Standard polar33892256
6-Methylthioguanosine monophosphate,3TBDMS,isomer #12CSC1=NC(=N[Si](C)(C)C(C)(C)C)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O3847.3Semi standard non polar33892256
6-Methylthioguanosine monophosphate,3TBDMS,isomer #12CSC1=NC(=N[Si](C)(C)C(C)(C)C)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O3967.3Standard non polar33892256
6-Methylthioguanosine monophosphate,3TBDMS,isomer #12CSC1=NC(=N[Si](C)(C)C(C)(C)C)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O4924.3Standard polar33892256
6-Methylthioguanosine monophosphate,3TBDMS,isomer #13CSC1=NC(=N)N([Si](C)(C)C(C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O3910.0Semi standard non polar33892256
6-Methylthioguanosine monophosphate,3TBDMS,isomer #13CSC1=NC(=N)N([Si](C)(C)C(C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O3852.4Standard non polar33892256
6-Methylthioguanosine monophosphate,3TBDMS,isomer #13CSC1=NC(=N)N([Si](C)(C)C(C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O4948.4Standard polar33892256
6-Methylthioguanosine monophosphate,3TBDMS,isomer #14CSC1=NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O3885.7Semi standard non polar33892256
6-Methylthioguanosine monophosphate,3TBDMS,isomer #14CSC1=NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O3985.4Standard non polar33892256
6-Methylthioguanosine monophosphate,3TBDMS,isomer #14CSC1=NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O5070.0Standard polar33892256
6-Methylthioguanosine monophosphate,3TBDMS,isomer #2CSC1=NC(=N[Si](C)(C)C(C)(C)C)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C3712.7Semi standard non polar33892256
6-Methylthioguanosine monophosphate,3TBDMS,isomer #2CSC1=NC(=N[Si](C)(C)C(C)(C)C)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C4064.4Standard non polar33892256
6-Methylthioguanosine monophosphate,3TBDMS,isomer #2CSC1=NC(=N[Si](C)(C)C(C)(C)C)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C5284.8Standard polar33892256
6-Methylthioguanosine monophosphate,3TBDMS,isomer #3CSC1=NC(=N)N([Si](C)(C)C(C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C3760.5Semi standard non polar33892256
6-Methylthioguanosine monophosphate,3TBDMS,isomer #3CSC1=NC(=N)N([Si](C)(C)C(C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C3903.3Standard non polar33892256
6-Methylthioguanosine monophosphate,3TBDMS,isomer #3CSC1=NC(=N)N([Si](C)(C)C(C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C5308.9Standard polar33892256
6-Methylthioguanosine monophosphate,3TBDMS,isomer #4CSC1=NC(=N)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O3872.4Semi standard non polar33892256
6-Methylthioguanosine monophosphate,3TBDMS,isomer #4CSC1=NC(=N)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O3748.3Standard non polar33892256
6-Methylthioguanosine monophosphate,3TBDMS,isomer #4CSC1=NC(=N)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4905.3Standard polar33892256
6-Methylthioguanosine monophosphate,3TBDMS,isomer #5CSC1=NC(=N[Si](C)(C)C(C)(C)C)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O3811.4Semi standard non polar33892256
6-Methylthioguanosine monophosphate,3TBDMS,isomer #5CSC1=NC(=N[Si](C)(C)C(C)(C)C)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4009.3Standard non polar33892256
6-Methylthioguanosine monophosphate,3TBDMS,isomer #5CSC1=NC(=N[Si](C)(C)C(C)(C)C)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O5045.7Standard polar33892256
6-Methylthioguanosine monophosphate,3TBDMS,isomer #6CSC1=NC(=N)N([Si](C)(C)C(C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O3875.0Semi standard non polar33892256
6-Methylthioguanosine monophosphate,3TBDMS,isomer #6CSC1=NC(=N)N([Si](C)(C)C(C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O3884.0Standard non polar33892256
6-Methylthioguanosine monophosphate,3TBDMS,isomer #6CSC1=NC(=N)N([Si](C)(C)C(C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O5068.2Standard polar33892256
6-Methylthioguanosine monophosphate,3TBDMS,isomer #7CSC1=NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O3802.2Semi standard non polar33892256
6-Methylthioguanosine monophosphate,3TBDMS,isomer #7CSC1=NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4045.1Standard non polar33892256
6-Methylthioguanosine monophosphate,3TBDMS,isomer #7CSC1=NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O5253.2Standard polar33892256
6-Methylthioguanosine monophosphate,3TBDMS,isomer #8CSC1=NC(=N)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C3852.2Semi standard non polar33892256
6-Methylthioguanosine monophosphate,3TBDMS,isomer #8CSC1=NC(=N)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C3753.3Standard non polar33892256
6-Methylthioguanosine monophosphate,3TBDMS,isomer #8CSC1=NC(=N)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4941.1Standard polar33892256
6-Methylthioguanosine monophosphate,3TBDMS,isomer #9CSC1=NC(=N[Si](C)(C)C(C)(C)C)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C3804.6Semi standard non polar33892256
6-Methylthioguanosine monophosphate,3TBDMS,isomer #9CSC1=NC(=N[Si](C)(C)C(C)(C)C)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4014.8Standard non polar33892256
6-Methylthioguanosine monophosphate,3TBDMS,isomer #9CSC1=NC(=N[Si](C)(C)C(C)(C)C)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C5067.9Standard polar33892256
6-Methylthioguanosine monophosphate,4TBDMS,isomer #1CSC1=NC(=N)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C3987.4Semi standard non polar33892256
6-Methylthioguanosine monophosphate,4TBDMS,isomer #1CSC1=NC(=N)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C3797.8Standard non polar33892256
6-Methylthioguanosine monophosphate,4TBDMS,isomer #1CSC1=NC(=N)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C4741.0Standard polar33892256
6-Methylthioguanosine monophosphate,4TBDMS,isomer #10CSC1=NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4016.3Semi standard non polar33892256
6-Methylthioguanosine monophosphate,4TBDMS,isomer #10CSC1=NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4009.3Standard non polar33892256
6-Methylthioguanosine monophosphate,4TBDMS,isomer #10CSC1=NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4761.1Standard polar33892256
6-Methylthioguanosine monophosphate,4TBDMS,isomer #11CSC1=NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O4050.3Semi standard non polar33892256
6-Methylthioguanosine monophosphate,4TBDMS,isomer #11CSC1=NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O3951.4Standard non polar33892256
6-Methylthioguanosine monophosphate,4TBDMS,isomer #11CSC1=NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O4663.8Standard polar33892256
6-Methylthioguanosine monophosphate,4TBDMS,isomer #2CSC1=NC(=N[Si](C)(C)C(C)(C)C)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C3948.7Semi standard non polar33892256
6-Methylthioguanosine monophosphate,4TBDMS,isomer #2CSC1=NC(=N[Si](C)(C)C(C)(C)C)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C4053.2Standard non polar33892256
6-Methylthioguanosine monophosphate,4TBDMS,isomer #2CSC1=NC(=N[Si](C)(C)C(C)(C)C)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C4803.9Standard polar33892256
6-Methylthioguanosine monophosphate,4TBDMS,isomer #3CSC1=NC(=N)N([Si](C)(C)C(C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C3981.1Semi standard non polar33892256
6-Methylthioguanosine monophosphate,4TBDMS,isomer #3CSC1=NC(=N)N([Si](C)(C)C(C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C3903.4Standard non polar33892256
6-Methylthioguanosine monophosphate,4TBDMS,isomer #3CSC1=NC(=N)N([Si](C)(C)C(C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C4826.2Standard polar33892256
6-Methylthioguanosine monophosphate,4TBDMS,isomer #4CSC1=NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C3929.0Semi standard non polar33892256
6-Methylthioguanosine monophosphate,4TBDMS,isomer #4CSC1=NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C4072.3Standard non polar33892256
6-Methylthioguanosine monophosphate,4TBDMS,isomer #4CSC1=NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C4932.1Standard polar33892256
6-Methylthioguanosine monophosphate,4TBDMS,isomer #5CSC1=NC(=N[Si](C)(C)C(C)(C)C)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4000.4Semi standard non polar33892256
6-Methylthioguanosine monophosphate,4TBDMS,isomer #5CSC1=NC(=N[Si](C)(C)C(C)(C)C)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O3999.7Standard non polar33892256
6-Methylthioguanosine monophosphate,4TBDMS,isomer #5CSC1=NC(=N[Si](C)(C)C(C)(C)C)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4645.8Standard polar33892256
6-Methylthioguanosine monophosphate,4TBDMS,isomer #6CSC1=NC(=N)N([Si](C)(C)C(C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4036.6Semi standard non polar33892256
6-Methylthioguanosine monophosphate,4TBDMS,isomer #6CSC1=NC(=N)N([Si](C)(C)C(C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O3851.0Standard non polar33892256
6-Methylthioguanosine monophosphate,4TBDMS,isomer #6CSC1=NC(=N)N([Si](C)(C)C(C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4669.2Standard polar33892256
6-Methylthioguanosine monophosphate,4TBDMS,isomer #7CSC1=NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4025.5Semi standard non polar33892256
6-Methylthioguanosine monophosphate,4TBDMS,isomer #7CSC1=NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4009.7Standard non polar33892256
6-Methylthioguanosine monophosphate,4TBDMS,isomer #7CSC1=NC(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4743.6Standard polar33892256
6-Methylthioguanosine monophosphate,4TBDMS,isomer #8CSC1=NC(=N[Si](C)(C)C(C)(C)C)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C3992.6Semi standard non polar33892256
6-Methylthioguanosine monophosphate,4TBDMS,isomer #8CSC1=NC(=N[Si](C)(C)C(C)(C)C)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4005.4Standard non polar33892256
6-Methylthioguanosine monophosphate,4TBDMS,isomer #8CSC1=NC(=N[Si](C)(C)C(C)(C)C)[NH]C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4681.4Standard polar33892256
6-Methylthioguanosine monophosphate,4TBDMS,isomer #9CSC1=NC(=N)N([Si](C)(C)C(C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4024.7Semi standard non polar33892256
6-Methylthioguanosine monophosphate,4TBDMS,isomer #9CSC1=NC(=N)N([Si](C)(C)C(C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C3855.7Standard non polar33892256
6-Methylthioguanosine monophosphate,4TBDMS,isomer #9CSC1=NC(=N)N([Si](C)(C)C(C)(C)C)C2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4701.1Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 6-Methylthioguanosine monophosphate GC-MS (Non-derivatized) - 70eV, Positivesplash10-002b-9522000000-3403ebc7adb3022b192e2017-09-20Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 6-Methylthioguanosine monophosphate GC-MS (2 TMS) - 70eV, Positivesplash10-0002-9212210000-826515ef4afb0f78db082017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 6-Methylthioguanosine monophosphate GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6-Methylthioguanosine monophosphate 10V, Positive-QTOFsplash10-001i-1913000000-49ad96d444fce5e0872b2017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6-Methylthioguanosine monophosphate 20V, Positive-QTOFsplash10-001i-0900000000-17c5e0553a534f25a9272017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6-Methylthioguanosine monophosphate 40V, Positive-QTOFsplash10-001i-1900000000-637df8d43a54f8b2aa752017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6-Methylthioguanosine monophosphate 10V, Negative-QTOFsplash10-0036-7609000000-4f482ce6d034cf986dd82017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6-Methylthioguanosine monophosphate 20V, Negative-QTOFsplash10-0059-9700000000-c88542d3c83c94042b242017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6-Methylthioguanosine monophosphate 40V, Negative-QTOFsplash10-004i-9100000000-f0ca318ca5860e2618252017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6-Methylthioguanosine monophosphate 10V, Positive-QTOFsplash10-001l-0906000000-98f87a91c8b94db96ab22021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6-Methylthioguanosine monophosphate 20V, Positive-QTOFsplash10-001i-0900000000-cbe811feacb52071a1ec2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6-Methylthioguanosine monophosphate 40V, Positive-QTOFsplash10-001i-1900000000-67c7130f13e1ad5026092021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6-Methylthioguanosine monophosphate 10V, Negative-QTOFsplash10-002f-9008000000-a4002c9501db3d5cf9752021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6-Methylthioguanosine monophosphate 20V, Negative-QTOFsplash10-004i-9102000000-d8829e667efd4c7226532021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6-Methylthioguanosine monophosphate 40V, Negative-QTOFsplash10-004i-9101000000-bfb988818044519e02d62021-10-12Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
  • Urine
Tissue Locations
  • Kidney
  • Liver
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableNormal
      Not Available
 details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableNormal
      Not Available
 details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDC16620
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound21820757
PDB IDNot Available
ChEBI ID80614
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Magrane M: UniProt Knowledgebase: a hub of integrated protein data. Database (Oxford). 2011 Mar 29;2011:bar009. doi: 10.1093/database/bar009. Print 2011. [PubMed:21447597 ]

Enzymes

Enzyme Details
1. Thiopurine S-methyltransferase
General function:
Involved in thiopurine S-methyltransferase activity
Specific function:
Catalyzes the S-methylation of thiopurine drugs such as 6-mercaptopurine.
Gene Name:
TPMT
Uniprot ID:
P51580
Molecular weight:
28180.09
Reactions
6-Thioguanosine monophosphate + S-Adenosylmethionine → 6-Methylthioguanosine monophosphate + S-Adenosylhomocysteinedetails