Hmdb loader

Showing metabocard for Ipamorelin (HMDB0253561)

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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-11 12:15:46 UTC
Update Date2021-09-26 23:06:51 UTC
HMDB IDHMDB0253561
Secondary Accession NumbersNone
Metabolite Identification
Common NameIpamorelin
DescriptionIpamorelin belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. Based on a literature review a significant number of articles have been published on Ipamorelin. This compound has been identified in human blood as reported by (PMID: 31557052 ). Ipamorelin is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Ipamorelin is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0253561 (Ipamorelin)


  Mrv1652309112114162D          

 52 55  0  0  0  0            999 V2000
    1.8116   -3.2091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2715   -2.5855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0015   -1.1823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0787   -2.1177    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6188   -1.4941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 52  1  0  0  0  0
M  END
Download

3D MOL for HMDB0253561 (Ipamorelin)

HMDB0253561
     RDKit          3D
Ipamorelin
101104  0  0  0  0  0  0  0  0999 V2000
   -7.0893   -5.1201   -0.1803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0161   -4.6050    0.7446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7629   -5.4127    0.4852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4571   -4.9539    2.1088 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8139   -3.1532    0.6826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0047   -2.4853    1.7582 O   0  0  0  0  0  0  0  0  0  0  0  0
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 49 99  1  0
 51100  1  0
 51101  1  0
M  END
Download

3D SDF for HMDB0253561 (Ipamorelin)


  Mrv1652309112114162D          

 52 55  0  0  0  0            999 V2000
    1.8116   -3.2091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2715   -2.5855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8951   -2.0454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7314   -1.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0015   -1.1823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0787   -2.1177    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6188   -1.4941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6990   -2.4296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4884   -2.6693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5043   -3.4941    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7248   -3.7642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2270   -3.1062    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3488   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4614   -0.5586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.6695   -0.0909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3994    0.6887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5893    0.8446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3193    1.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5091    1.7800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1913    0.8446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4614    1.6241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7314    0.2209    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5415    0.3768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8116    1.1564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6217    1.3123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8116   -1.0264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8918   -0.0909    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4319   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5922   -1.0264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1323   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8623   -2.4296    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1618   -1.4941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7019   -2.1177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3517   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6479   -3.1256    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
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 16 17  1  0  0  0  0
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 25 26  2  0  0  0  0
 21 26  1  0  0  0  0
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 27 28  2  0  0  0  0
 19 28  1  0  0  0  0
 17 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 34 39  1  0  0  0  0
 32 40  1  0  0  0  0
 40 41  2  0  0  0  0
 40 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 43 49  1  0  0  0  0
 49 50  2  0  0  0  0
 49 51  1  0  0  0  0
  2 52  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0253561

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(C)(N)C(=O)NC(CC1=CN=CN1)C(=O)NC(CC1=CC2=CC=CC=C2C=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(N)=O

> <INCHI_IDENTIFIER>
InChI=1S/C38H49N9O5/c1-38(2,41)37(52)47-32(21-28-22-42-23-43-28)36(51)46-31(20-25-15-16-26-12-6-7-13-27(26)18-25)35(50)45-30(19-24-10-4-3-5-11-24)34(49)44-29(33(40)48)14-8-9-17-39/h3-7,10-13,15-16,18,22-23,29-32H,8-9,14,17,19-21,39,41H2,1-2H3,(H2,40,48)(H,42,43)(H,44,49)(H,45,50)(H,46,51)(H,47,52)

> <INCHI_KEY>
NEHWBYHLYZGBNO-UHFFFAOYSA-N

> <FORMULA>
C38H49N9O5

> <MOLECULAR_WEIGHT>
711.868

> <EXACT_MASS>
711.385665714

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
101

> <JCHEM_AVERAGE_POLARIZABILITY>
76.88314984409608

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
6-amino-2-(2-{2-[2-(2-amino-2-methylpropanamido)-3-(1H-imidazol-5-yl)propanamido]-3-(naphthalen-2-yl)propanamido}-3-phenylpropanamido)hexanamide

> <ALOGPS_LOGP>
1.29

> <JCHEM_LOGP>
0.30042077433333364

> <ALOGPS_LOGS>
-5.34

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
3

> <JCHEM_PKA>
12.195277633995017

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.792822175498753

> <JCHEM_PKA_STRONGEST_BASIC>
10.198993116512952

> <JCHEM_POLAR_SURFACE_AREA>
240.21

> <JCHEM_REFRACTIVITY>
196.7845

> <JCHEM_ROTATABLE_BOND_COUNT>
19

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.24e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
6-amino-2-(2-{2-[2-(2-amino-2-methylpropanamido)-3-(3H-imidazol-4-yl)propanamido]-3-(naphthalen-2-yl)propanamido}-3-phenylpropanamido)hexanamide

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0253561 (Ipamorelin)

HMDB0253561
     RDKit          3D
Ipamorelin
101104  0  0  0  0  0  0  0  0999 V2000
   -7.0893   -5.1201   -0.1803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0161   -4.6050    0.7446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7629   -5.4127    0.4852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4571   -4.9539    2.1088 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8139   -3.1532    0.6826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0047   -2.4853    1.7582 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4232   -2.4074   -0.4600 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2527   -0.9933   -0.3873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2493   -0.2472   -1.2603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6523   -0.5013   -0.9091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4630   -1.4847   -1.4253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6768   -1.3948   -0.8635 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6364   -0.3716   -0.0049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4337    0.1747   -0.0185 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9062   -0.5086   -0.8624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3051   -1.0870   -1.7967 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2984    0.6154   -0.2567 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9988    1.1590   -0.6742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0746    2.6170   -0.4136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8964    3.4393   -0.7255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6606    3.9436   -1.9867 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4105    4.7643   -2.2596 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3249    5.1310   -1.2550 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3989    5.9576   -1.4873 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2817    6.3216   -0.4904 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0528    5.8222    0.7711 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9801    4.9920    1.0145 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0803    4.6207    0.0023 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0094    3.8022    0.2676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8989    0.4587    0.0781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1336   -0.3211    1.0081 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4479    0.7376   -0.3538 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5202    0.0704    0.3065 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7574   -1.2094   -0.5238 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7905   -0.5252   -3.6001 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4160   -0.7951   -2.3038 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7407    0.7933    0.5508 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8878    1.9780    0.1990 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8150    0.1529    1.2082 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0923    0.8160    1.4995 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1631    0.0104    0.8660 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3155   -1.3982    1.2967 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7205   -1.6634    2.6951 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1019   -1.1364    3.0165 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0199   -1.8232    2.1129 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1462    1.0303    2.9387 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2392    1.6712    3.5514 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1989    0.6463    3.6875 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0092   -4.5245   -0.0905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2996   -6.1769    0.1706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7036   -5.2376   -1.2001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0809   -4.9842   -0.2472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2564   -5.6188    1.4717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0591   -6.4251    0.1168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2001   -4.2356    2.3378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6392   -4.8753    2.7477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2637   -2.9134   -1.3459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3492   -0.6556    0.6621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0383    0.8463   -1.1122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0852   -0.5616   -2.3181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1826   -2.2301   -2.1794 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4988   -0.0543    0.6116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0795    0.9729    0.5240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7805    1.0879    0.5309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7962    0.8899   -1.7289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3565    2.8316    0.6630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9351    3.0838   -0.9830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3451    3.6847   -2.8040 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6432    5.1865   -3.2236 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5322    6.3223   -2.5162 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1225    6.9844   -0.7189 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7327    6.0890    1.5910 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7628    4.5702    2.0054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1545    3.4197    1.2591 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6592    1.3991   -1.1275 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1273   -0.3529    1.2787 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7998   -1.7584   -0.4971 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5139   -1.8398   -0.0235 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1084   -0.8264   -2.5697 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6702   -0.3441   -4.9320 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0619   -0.1450   -5.5857 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8127   -0.4367   -3.9196 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1985   -0.9238   -1.5842 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7068   -0.8382    1.5035 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0097    1.7965    0.9506 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9304   -0.0141   -0.2427 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1176    0.5933    0.9121 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4002   -1.9544    0.9862 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1302   -1.8383    0.6375 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7809   -2.7714    2.8500 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0576   -1.2993    3.4855 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2170   -0.0611    2.9738 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3392   -1.4704    4.0415 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3234   -2.7025    2.5823 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7724   -1.2288    1.7527 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7140    1.3350    4.4096 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6024    2.5459    3.1107 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
  8 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 18 30  1  0
 30 31  2  0
 30 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 37 38  2  0
 38 39  1  0
 39 40  2  0
 33 41  1  0
 41 42  2  0
 41 43  1  0
 43 44  1  0
 44 45  1  0
 45 46  1  0
 46 47  1  0
 47 48  1  0
 48 49  1  0
 44 50  1  0
 50 51  1  0
 50 52  2  0
 14 10  1  0
 29 20  1  0
 40 35  1  0
 28 23  1  0
  1 53  1  0
  1 54  1  0
  1 55  1  0
  3 56  1  0
  3 57  1  0
  3 58  1  0
  4 59  1  0
  4 60  1  0
  7 61  1  0
  8 62  1  0
  9 63  1  0
  9 64  1  0
 11 65  1  0
 13 66  1  0
 14 67  1  0
 17 68  1  0
 18 69  1  0
 19 70  1  0
 19 71  1  0
 21 72  1  0
 22 73  1  0
 24 74  1  0
 25 75  1  0
 26 76  1  0
 27 77  1  0
 29 78  1  0
 32 79  1  0
 33 80  1  0
 34 81  1  0
 34 82  1  0
 36 83  1  0
 37 84  1  0
 38 85  1  0
 39 86  1  0
 40 87  1  0
 43 88  1  0
 44 89  1  0
 45 90  1  0
 45 91  1  0
 46 92  1  0
 46 93  1  0
 47 94  1  0
 47 95  1  0
 48 96  1  0
 48 97  1  0
 49 98  1  0
 49 99  1  0
 51100  1  0
 51101  1  0
M  END
Download

PDB for HMDB0253561 (Ipamorelin)

HEADER    PROTEIN                                 11-SEP-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-21         0                                  
HETATM    1  C   UNK     0       3.382  -5.990   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.373  -4.826   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       3.538  -3.818   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.365  -3.662   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       1.869  -2.207   0.000  0.00  0.00           O+0
HETATM    6  N   UNK     0      -0.147  -3.953   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0      -1.155  -2.789   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -2.667  -3.080   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -3.171  -4.535   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -4.645  -4.983   0.000  0.00  0.00           C+0
HETATM   11  N   UNK     0      -4.675  -6.522   0.000  0.00  0.00           N+0
HETATM   12  C   UNK     0      -3.220  -7.026   0.000  0.00  0.00           C+0
HETATM   13  N   UNK     0      -2.290  -5.798   0.000  0.00  0.00           N+0
HETATM   14  C   UNK     0      -0.651  -1.334   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       0.861  -1.043   0.000  0.00  0.00           O+0
HETATM   16  N   UNK     0      -1.659  -0.170   0.000  0.00  0.00           N+0
HETATM   17  C   UNK     0      -1.155   1.285   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -2.163   2.450   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -3.676   2.159   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -4.180   0.703   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -5.692   0.412   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -6.196  -1.043   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -7.708  -1.334   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -8.716  -0.170   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -8.212   1.285   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -6.700   1.577   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -6.196   3.032   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -4.684   3.323   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       0.357   1.577   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       0.861   3.032   0.000  0.00  0.00           O+0
HETATM   31  N   UNK     0       1.365   0.412   0.000  0.00  0.00           N+0
HETATM   32  C   UNK     0       2.878   0.703   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       3.382   2.159   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       4.894   2.450   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       5.398   3.905   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       6.910   4.196   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       7.918   3.032   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       7.414   1.577   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       5.902   1.285   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       3.886  -0.461   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0       3.382  -1.916   0.000  0.00  0.00           O+0
HETATM   42  N   UNK     0       5.398  -0.170   0.000  0.00  0.00           N+0
HETATM   43  C   UNK     0       6.406  -1.334   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0       7.918  -1.043   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0       8.927  -2.207   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      10.439  -1.916   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0      11.447  -3.080   0.000  0.00  0.00           C+0
HETATM   48  N   UNK     0      10.943  -4.535   0.000  0.00  0.00           N+0
HETATM   49  C   UNK     0       5.902  -2.789   0.000  0.00  0.00           C+0
HETATM   50  O   UNK     0       6.910  -3.953   0.000  0.00  0.00           O+0
HETATM   51  N   UNK     0       4.390  -3.080   0.000  0.00  0.00           N+0
HETATM   52  N   UNK     0       1.209  -5.834   0.000  0.00  0.00           N+0
CONECT    1    2                                                            
CONECT    2    1    3    4   52                                             
CONECT    3    2                                                            
CONECT    4    2    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7                                                       
CONECT    7    6    8   14                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10   13                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12    9                                                       
CONECT   14    7   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17                                                       
CONECT   17   16   18   29                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20   28                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22   26                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   21   27                                                  
CONECT   27   26   28                                                       
CONECT   28   27   19                                                       
CONECT   29   17   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   32                                                       
CONECT   32   31   33   40                                                  
CONECT   33   32   34                                                       
CONECT   34   33   35   39                                                  
CONECT   35   34   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36   38                                                       
CONECT   38   37   39                                                       
CONECT   39   38   34                                                       
CONECT   40   32   41   42                                                  
CONECT   41   40                                                            
CONECT   42   40   43                                                       
CONECT   43   42   44   49                                                  
CONECT   44   43   45                                                       
CONECT   45   44   46                                                       
CONECT   46   45   47                                                       
CONECT   47   46   48                                                       
CONECT   48   47                                                            
CONECT   49   43   50   51                                                  
CONECT   50   49                                                            
CONECT   51   49                                                            
CONECT   52    2                                                            
MASTER        0    0    0    0    0    0    0    0   52    0  110    0
END
Download

3D PDB for HMDB0253561 (Ipamorelin)

COMPND    HMDB0253561
HETATM    1  C1  UNL     1      -7.089  -5.120  -0.180  1.00  0.00           C  
HETATM    2  C2  UNL     1      -6.016  -4.605   0.745  1.00  0.00           C  
HETATM    3  C3  UNL     1      -4.763  -5.413   0.485  1.00  0.00           C  
HETATM    4  N1  UNL     1      -6.457  -4.954   2.109  1.00  0.00           N  
HETATM    5  C4  UNL     1      -5.814  -3.153   0.683  1.00  0.00           C  
HETATM    6  O1  UNL     1      -6.005  -2.485   1.758  1.00  0.00           O  
HETATM    7  N2  UNL     1      -5.423  -2.407  -0.460  1.00  0.00           N  
HETATM    8  C5  UNL     1      -5.253  -0.993  -0.387  1.00  0.00           C  
HETATM    9  C6  UNL     1      -6.249  -0.247  -1.260  1.00  0.00           C  
HETATM   10  C7  UNL     1      -7.652  -0.501  -0.909  1.00  0.00           C  
HETATM   11  C8  UNL     1      -8.463  -1.485  -1.425  1.00  0.00           C  
HETATM   12  N3  UNL     1      -9.677  -1.395  -0.863  1.00  0.00           N  
HETATM   13  C9  UNL     1      -9.636  -0.372  -0.005  1.00  0.00           C  
HETATM   14  N4  UNL     1      -8.434   0.175  -0.019  1.00  0.00           N  
HETATM   15  C10 UNL     1      -3.906  -0.509  -0.862  1.00  0.00           C  
HETATM   16  O2  UNL     1      -3.305  -1.087  -1.797  1.00  0.00           O  
HETATM   17  N5  UNL     1      -3.298   0.615  -0.257  1.00  0.00           N  
HETATM   18  C11 UNL     1      -1.999   1.159  -0.674  1.00  0.00           C  
HETATM   19  C12 UNL     1      -2.075   2.617  -0.414  1.00  0.00           C  
HETATM   20  C13 UNL     1      -0.896   3.439  -0.725  1.00  0.00           C  
HETATM   21  C14 UNL     1      -0.661   3.944  -1.987  1.00  0.00           C  
HETATM   22  C15 UNL     1       0.410   4.764  -2.260  1.00  0.00           C  
HETATM   23  C16 UNL     1       1.325   5.131  -1.255  1.00  0.00           C  
HETATM   24  C17 UNL     1       2.399   5.958  -1.487  1.00  0.00           C  
HETATM   25  C18 UNL     1       3.282   6.322  -0.490  1.00  0.00           C  
HETATM   26  C19 UNL     1       3.053   5.822   0.771  1.00  0.00           C  
HETATM   27  C20 UNL     1       1.980   4.992   1.015  1.00  0.00           C  
HETATM   28  C21 UNL     1       1.080   4.621   0.002  1.00  0.00           C  
HETATM   29  C22 UNL     1       0.009   3.802   0.268  1.00  0.00           C  
HETATM   30  C23 UNL     1      -0.899   0.459   0.078  1.00  0.00           C  
HETATM   31  O3  UNL     1      -1.134  -0.321   1.008  1.00  0.00           O  
HETATM   32  N6  UNL     1       0.448   0.738  -0.354  1.00  0.00           N  
HETATM   33  C24 UNL     1       1.520   0.070   0.306  1.00  0.00           C  
HETATM   34  C25 UNL     1       1.757  -1.209  -0.524  1.00  0.00           C  
HETATM   35  C26 UNL     1       2.089  -0.907  -1.922  1.00  0.00           C  
HETATM   36  C27 UNL     1       1.131  -0.734  -2.903  1.00  0.00           C  
HETATM   37  C28 UNL     1       1.460  -0.465  -4.201  1.00  0.00           C  
HETATM   38  C29 UNL     1       2.778  -0.362  -4.542  1.00  0.00           C  
HETATM   39  C30 UNL     1       3.790  -0.525  -3.600  1.00  0.00           C  
HETATM   40  C31 UNL     1       3.416  -0.795  -2.304  1.00  0.00           C  
HETATM   41  C32 UNL     1       2.741   0.793   0.551  1.00  0.00           C  
HETATM   42  O4  UNL     1       2.888   1.978   0.199  1.00  0.00           O  
HETATM   43  N7  UNL     1       3.815   0.153   1.208  1.00  0.00           N  
HETATM   44  C33 UNL     1       5.092   0.816   1.500  1.00  0.00           C  
HETATM   45  C34 UNL     1       6.163   0.010   0.866  1.00  0.00           C  
HETATM   46  C35 UNL     1       6.315  -1.398   1.297  1.00  0.00           C  
HETATM   47  C36 UNL     1       6.721  -1.663   2.695  1.00  0.00           C  
HETATM   48  C37 UNL     1       8.102  -1.136   3.016  1.00  0.00           C  
HETATM   49  N8  UNL     1       9.020  -1.823   2.113  1.00  0.00           N  
HETATM   50  C38 UNL     1       5.146   1.030   2.939  1.00  0.00           C  
HETATM   51  N9  UNL     1       6.239   1.671   3.551  1.00  0.00           N  
HETATM   52  O5  UNL     1       4.199   0.646   3.688  1.00  0.00           O  
HETATM   53  H1  UNL     1      -8.009  -4.525  -0.091  1.00  0.00           H  
HETATM   54  H2  UNL     1      -7.300  -6.177   0.171  1.00  0.00           H  
HETATM   55  H3  UNL     1      -6.704  -5.238  -1.200  1.00  0.00           H  
HETATM   56  H4  UNL     1      -4.081  -4.984  -0.247  1.00  0.00           H  
HETATM   57  H5  UNL     1      -4.256  -5.619   1.472  1.00  0.00           H  
HETATM   58  H6  UNL     1      -5.059  -6.425   0.117  1.00  0.00           H  
HETATM   59  H7  UNL     1      -7.200  -4.236   2.338  1.00  0.00           H  
HETATM   60  H8  UNL     1      -5.639  -4.875   2.748  1.00  0.00           H  
HETATM   61  H9  UNL     1      -5.264  -2.913  -1.346  1.00  0.00           H  
HETATM   62  H10 UNL     1      -5.349  -0.656   0.662  1.00  0.00           H  
HETATM   63  H11 UNL     1      -6.038   0.846  -1.112  1.00  0.00           H  
HETATM   64  H12 UNL     1      -6.085  -0.562  -2.318  1.00  0.00           H  
HETATM   65  H13 UNL     1      -8.183  -2.230  -2.179  1.00  0.00           H  
HETATM   66  H14 UNL     1     -10.499  -0.054   0.612  1.00  0.00           H  
HETATM   67  H15 UNL     1      -8.080   0.973   0.524  1.00  0.00           H  
HETATM   68  H16 UNL     1      -3.781   1.088   0.531  1.00  0.00           H  
HETATM   69  H17 UNL     1      -1.796   0.890  -1.729  1.00  0.00           H  
HETATM   70  H18 UNL     1      -2.357   2.832   0.663  1.00  0.00           H  
HETATM   71  H19 UNL     1      -2.935   3.084  -0.983  1.00  0.00           H  
HETATM   72  H20 UNL     1      -1.345   3.685  -2.804  1.00  0.00           H  
HETATM   73  H21 UNL     1       0.643   5.187  -3.224  1.00  0.00           H  
HETATM   74  H22 UNL     1       2.532   6.322  -2.516  1.00  0.00           H  
HETATM   75  H23 UNL     1       4.122   6.984  -0.719  1.00  0.00           H  
HETATM   76  H24 UNL     1       3.733   6.089   1.591  1.00  0.00           H  
HETATM   77  H25 UNL     1       1.763   4.570   2.005  1.00  0.00           H  
HETATM   78  H26 UNL     1      -0.155   3.420   1.259  1.00  0.00           H  
HETATM   79  H27 UNL     1       0.659   1.399  -1.128  1.00  0.00           H  
HETATM   80  H28 UNL     1       1.127  -0.353   1.279  1.00  0.00           H  
HETATM   81  H29 UNL     1       0.800  -1.758  -0.497  1.00  0.00           H  
HETATM   82  H30 UNL     1       2.514  -1.840  -0.024  1.00  0.00           H  
HETATM   83  H31 UNL     1       0.108  -0.826  -2.570  1.00  0.00           H  
HETATM   84  H32 UNL     1       0.670  -0.344  -4.932  1.00  0.00           H  
HETATM   85  H33 UNL     1       3.062  -0.145  -5.586  1.00  0.00           H  
HETATM   86  H34 UNL     1       4.813  -0.437  -3.920  1.00  0.00           H  
HETATM   87  H35 UNL     1       4.199  -0.924  -1.584  1.00  0.00           H  
HETATM   88  H36 UNL     1       3.707  -0.838   1.504  1.00  0.00           H  
HETATM   89  H37 UNL     1       5.010   1.797   0.951  1.00  0.00           H  
HETATM   90  H38 UNL     1       5.930  -0.014  -0.243  1.00  0.00           H  
HETATM   91  H39 UNL     1       7.118   0.593   0.912  1.00  0.00           H  
HETATM   92  H40 UNL     1       5.400  -1.954   0.986  1.00  0.00           H  
HETATM   93  H41 UNL     1       7.130  -1.838   0.638  1.00  0.00           H  
HETATM   94  H42 UNL     1       6.781  -2.771   2.850  1.00  0.00           H  
HETATM   95  H43 UNL     1       6.058  -1.299   3.485  1.00  0.00           H  
HETATM   96  H44 UNL     1       8.217  -0.061   2.974  1.00  0.00           H  
HETATM   97  H45 UNL     1       8.339  -1.470   4.041  1.00  0.00           H  
HETATM   98  H46 UNL     1       9.323  -2.702   2.582  1.00  0.00           H  
HETATM   99  H47 UNL     1       9.772  -1.229   1.753  1.00  0.00           H  
HETATM  100  H48 UNL     1       6.714   1.335   4.410  1.00  0.00           H  
HETATM  101  H49 UNL     1       6.602   2.546   3.111  1.00  0.00           H  
CONECT    1    2   53   54   55
CONECT    2    3    4    5
CONECT    3   56   57   58
CONECT    4   59   60
CONECT    5    6    6    7
CONECT    7    8   61
CONECT    8    9   15   62
CONECT    9   10   63   64
CONECT   10   11   11   14
CONECT   11   12   65
CONECT   12   13   13
CONECT   13   14   66
CONECT   14   67
CONECT   15   16   16   17
CONECT   17   18   68
CONECT   18   19   30   69
CONECT   19   20   70   71
CONECT   20   21   21   29
CONECT   21   22   72
CONECT   22   23   23   73
CONECT   23   24   28
CONECT   24   25   25   74
CONECT   25   26   75
CONECT   26   27   27   76
CONECT   27   28   77
CONECT   28   29   29
CONECT   29   78
CONECT   30   31   31   32
CONECT   32   33   79
CONECT   33   34   41   80
CONECT   34   35   81   82
CONECT   35   36   36   40
CONECT   36   37   83
CONECT   37   38   38   84
CONECT   38   39   85
CONECT   39   40   40   86
CONECT   40   87
CONECT   41   42   42   43
CONECT   43   44   88
CONECT   44   45   50   89
CONECT   45   46   90   91
CONECT   46   47   92   93
CONECT   47   48   94   95
CONECT   48   49   96   97
CONECT   49   98   99
CONECT   50   51   52   52
CONECT   51  100  101
END
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SMILES for HMDB0253561 (Ipamorelin)

CC(C)(N)C(=O)NC(CC1=CN=CN1)C(=O)NC(CC1=CC2=CC=CC=C2C=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(N)=O
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INCHI for HMDB0253561 (Ipamorelin)

InChI=1S/C38H49N9O5/c1-38(2,41)37(52)47-32(21-28-22-42-23-43-28)36(51)46-31(20-25-15-16-26-12-6-7-13-27(26)18-25)35(50)45-30(19-24-10-4-3-5-11-24)34(49)44-29(33(40)48)14-8-9-17-39/h3-7,10-13,15-16,18,22-23,29-32H,8-9,14,17,19-21,39,41H2,1-2H3,(H2,40,48)(H,42,43)(H,44,49)(H,45,50)(H,46,51)(H,47,52)
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View in JSmolView Stereo Labels
Synonyms
ValueSource
Aib-his-2nal-phe-lys-NH2MeSH
Chemical FormulaC38H49N9O5
Average Molecular Weight711.868
Monoisotopic Molecular Weight711.385665714
IUPAC Name6-amino-2-(2-{2-[2-(2-amino-2-methylpropanamido)-3-(1H-imidazol-5-yl)propanamido]-3-(naphthalen-2-yl)propanamido}-3-phenylpropanamido)hexanamide
Traditional Name6-amino-2-(2-{2-[2-(2-amino-2-methylpropanamido)-3-(3H-imidazol-4-yl)propanamido]-3-(naphthalen-2-yl)propanamido}-3-phenylpropanamido)hexanamide
CAS Registry NumberNot Available
SMILES
CC(C)(N)C(=O)NC(CC1=CN=CN1)C(=O)NC(CC1=CC2=CC=CC=C2C=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(N)=O
InChI Identifier
InChI=1S/C38H49N9O5/c1-38(2,41)37(52)47-32(21-28-22-42-23-43-28)36(51)46-31(20-25-15-16-26-12-6-7-13-27(26)18-25)35(50)45-30(19-24-10-4-3-5-11-24)34(49)44-29(33(40)48)14-8-9-17-39/h3-7,10-13,15-16,18,22-23,29-32H,8-9,14,17,19-21,39,41H2,1-2H3,(H2,40,48)(H,42,43)(H,44,49)(H,45,50)(H,46,51)(H,47,52)
InChI KeyNEHWBYHLYZGBNO-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentOligopeptides
Alternative Parents
Substituents
  • Alpha-oligopeptide
  • Phenylalanine or derivatives
  • Histidine or derivatives
  • N-acyl-alpha amino acid or derivatives
  • Alpha-amino acid amide
  • N-substituted-alpha-amino acid
  • Alpha-amino acid or derivatives
  • Naphthalene
  • Amphetamine or derivatives
  • Fatty amide
  • Monocyclic benzene moiety
  • Benzenoid
  • Fatty acyl
  • Heteroaromatic compound
  • Azole
  • Imidazole
  • Primary carboxylic acid amide
  • Amino acid or derivatives
  • Carboxamide group
  • Secondary carboxylic acid amide
  • Azacycle
  • Organoheterocyclic compound
  • Organooxygen compound
  • Carbonyl group
  • Primary amine
  • Organic oxygen compound
  • Organic nitrogen compound
  • Hydrocarbon derivative
  • Amine
  • Organic oxide
  • Organonitrogen compound
  • Primary aliphatic amine
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
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
logP1.29ALOGPS
logP0.3ChemAxon
logS-5.3ALOGPS
pKa (Strongest Acidic)11.79ChemAxon
pKa (Strongest Basic)10.2ChemAxon
Physiological Charge3ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count8ChemAxon
Polar Surface Area240.21 ŲChemAxon
Rotatable Bond Count19ChemAxon
Refractivity196.78 m³·mol⁻¹ChemAxon
Polarizability76.88 ųChemAxon
Number of Rings4ChemAxon
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]+249.76330932474
DeepCCS[M-H]-247.93830932474
DeepCCS[M-2H]-281.1830932474
DeepCCS[M+Na]+255.36930932474

Predicted Retention Times

Underivatized

Chromatographic MethodRetention TimeReference
Predicted by Siyang on May 30, 202212.3095 minutes33406817
Predicted by Siyang using ReTip algorithm on June 8, 20224.79 minutes32390414
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid1297.6 seconds40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid173.6 seconds40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid210.1 seconds40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid184.8 seconds40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid98.4 seconds40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid403.2 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 Acid417.6 seconds40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)1101.5 seconds40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid826.9 seconds40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid515.4 seconds40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid1223.9 seconds40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid251.0 seconds40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid368.7 seconds40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate304.6 seconds40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA693.5 seconds40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water36.3 seconds40023050

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
IpamorelinCC(C)(N)C(=O)NC(CC1=CN=CN1)C(=O)NC(CC1=CC2=CC=CC=C2C=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(N)=O6414.4Standard polar33892256
IpamorelinCC(C)(N)C(=O)NC(CC1=CN=CN1)C(=O)NC(CC1=CC2=CC=CC=C2C=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(N)=O3915.0Standard non polar33892256
IpamorelinCC(C)(N)C(=O)NC(CC1=CN=CN1)C(=O)NC(CC1=CC2=CC=CC=C2C=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(N)=O6250.5Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Ipamorelin,1TMS,isomer #1CC(C)(N[Si](C)(C)C)C(=O)NC(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(N)=O6120.1Semi standard non polar33892256
Ipamorelin,1TMS,isomer #1CC(C)(N[Si](C)(C)C)C(=O)NC(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(N)=O5362.8Standard non polar33892256
Ipamorelin,1TMS,isomer #1CC(C)(N[Si](C)(C)C)C(=O)NC(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(N)=O9950.4Standard polar33892256
Ipamorelin,1TMS,isomer #2CC(C)(N)C(=O)NC(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN[Si](C)(C)C)C(N)=O6099.5Semi standard non polar33892256
Ipamorelin,1TMS,isomer #2CC(C)(N)C(=O)NC(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN[Si](C)(C)C)C(N)=O5390.0Standard non polar33892256
Ipamorelin,1TMS,isomer #2CC(C)(N)C(=O)NC(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN[Si](C)(C)C)C(N)=O10093.0Standard polar33892256
Ipamorelin,1TMS,isomer #3CC(C)(N)C(=O)NC(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)N[Si](C)(C)C5935.6Semi standard non polar33892256
Ipamorelin,1TMS,isomer #3CC(C)(N)C(=O)NC(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)N[Si](C)(C)C5351.7Standard non polar33892256
Ipamorelin,1TMS,isomer #3CC(C)(N)C(=O)NC(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)N[Si](C)(C)C9955.4Standard polar33892256
Ipamorelin,1TMS,isomer #4CC(C)(N)C(=O)N(C(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(N)=O)[Si](C)(C)C5816.5Semi standard non polar33892256
Ipamorelin,1TMS,isomer #4CC(C)(N)C(=O)N(C(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(N)=O)[Si](C)(C)C5344.6Standard non polar33892256
Ipamorelin,1TMS,isomer #4CC(C)(N)C(=O)N(C(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(N)=O)[Si](C)(C)C10331.6Standard polar33892256
Ipamorelin,1TMS,isomer #5CC(C)(N)C(=O)NC(CC1=CN=CN1[Si](C)(C)C)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(N)=O6036.4Semi standard non polar33892256
Ipamorelin,1TMS,isomer #5CC(C)(N)C(=O)NC(CC1=CN=CN1[Si](C)(C)C)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(N)=O5326.7Standard non polar33892256
Ipamorelin,1TMS,isomer #5CC(C)(N)C(=O)NC(CC1=CN=CN1[Si](C)(C)C)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(N)=O10436.6Standard polar33892256
Ipamorelin,1TMS,isomer #6CC(C)(N)C(=O)NC(CC1=CN=C[NH]1)C(=O)N(C(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(N)=O)[Si](C)(C)C5887.8Semi standard non polar33892256
Ipamorelin,1TMS,isomer #6CC(C)(N)C(=O)NC(CC1=CN=C[NH]1)C(=O)N(C(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(N)=O)[Si](C)(C)C5263.6Standard non polar33892256
Ipamorelin,1TMS,isomer #6CC(C)(N)C(=O)NC(CC1=CN=C[NH]1)C(=O)N(C(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(N)=O)[Si](C)(C)C10434.6Standard polar33892256
Ipamorelin,1TMS,isomer #7CC(C)(N)C(=O)NC(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(N)=O)[Si](C)(C)C5869.8Semi standard non polar33892256
Ipamorelin,1TMS,isomer #7CC(C)(N)C(=O)NC(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(N)=O)[Si](C)(C)C5252.6Standard non polar33892256
Ipamorelin,1TMS,isomer #7CC(C)(N)C(=O)NC(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(N)=O)[Si](C)(C)C10430.8Standard polar33892256
Ipamorelin,1TMS,isomer #8CC(C)(N)C(=O)NC(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN)C(N)=O)[Si](C)(C)C5824.6Semi standard non polar33892256
Ipamorelin,1TMS,isomer #8CC(C)(N)C(=O)NC(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN)C(N)=O)[Si](C)(C)C5244.5Standard non polar33892256
Ipamorelin,1TMS,isomer #8CC(C)(N)C(=O)NC(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN)C(N)=O)[Si](C)(C)C10376.4Standard polar33892256
Ipamorelin,2TMS,isomer #1CC(C)(N[Si](C)(C)C)C(=O)NC(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN[Si](C)(C)C)C(N)=O6116.8Semi standard non polar33892256
Ipamorelin,2TMS,isomer #1CC(C)(N[Si](C)(C)C)C(=O)NC(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN[Si](C)(C)C)C(N)=O5343.5Standard non polar33892256
Ipamorelin,2TMS,isomer #1CC(C)(N[Si](C)(C)C)C(=O)NC(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN[Si](C)(C)C)C(N)=O9138.1Standard polar33892256
Ipamorelin,2TMS,isomer #10CC(C)(N)C(=O)N(C(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN[Si](C)(C)C)C(N)=O)[Si](C)(C)C5853.6Semi standard non polar33892256
Ipamorelin,2TMS,isomer #10CC(C)(N)C(=O)N(C(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN[Si](C)(C)C)C(N)=O)[Si](C)(C)C5319.4Standard non polar33892256
Ipamorelin,2TMS,isomer #10CC(C)(N)C(=O)N(C(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN[Si](C)(C)C)C(N)=O)[Si](C)(C)C9577.4Standard polar33892256
Ipamorelin,2TMS,isomer #11CC(C)(N)C(=O)NC(CC1=CN=CN1[Si](C)(C)C)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN[Si](C)(C)C)C(N)=O6079.0Semi standard non polar33892256
Ipamorelin,2TMS,isomer #11CC(C)(N)C(=O)NC(CC1=CN=CN1[Si](C)(C)C)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN[Si](C)(C)C)C(N)=O5311.9Standard non polar33892256
Ipamorelin,2TMS,isomer #11CC(C)(N)C(=O)NC(CC1=CN=CN1[Si](C)(C)C)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN[Si](C)(C)C)C(N)=O9710.1Standard polar33892256
Ipamorelin,2TMS,isomer #12CC(C)(N)C(=O)NC(CC1=CN=C[NH]1)C(=O)N(C(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN[Si](C)(C)C)C(N)=O)[Si](C)(C)C5909.9Semi standard non polar33892256
Ipamorelin,2TMS,isomer #12CC(C)(N)C(=O)NC(CC1=CN=C[NH]1)C(=O)N(C(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN[Si](C)(C)C)C(N)=O)[Si](C)(C)C5240.6Standard non polar33892256
Ipamorelin,2TMS,isomer #12CC(C)(N)C(=O)NC(CC1=CN=C[NH]1)C(=O)N(C(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN[Si](C)(C)C)C(N)=O)[Si](C)(C)C9703.3Standard polar33892256
Ipamorelin,2TMS,isomer #13CC(C)(N)C(=O)NC(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN[Si](C)(C)C)C(N)=O)[Si](C)(C)C5895.7Semi standard non polar33892256
Ipamorelin,2TMS,isomer #13CC(C)(N)C(=O)NC(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN[Si](C)(C)C)C(N)=O)[Si](C)(C)C5229.6Standard non polar33892256
Ipamorelin,2TMS,isomer #13CC(C)(N)C(=O)NC(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN[Si](C)(C)C)C(N)=O)[Si](C)(C)C9697.6Standard polar33892256
Ipamorelin,2TMS,isomer #14CC(C)(N)C(=O)NC(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN[Si](C)(C)C)C(N)=O)[Si](C)(C)C5853.6Semi standard non polar33892256
Ipamorelin,2TMS,isomer #14CC(C)(N)C(=O)NC(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN[Si](C)(C)C)C(N)=O)[Si](C)(C)C5219.6Standard non polar33892256
Ipamorelin,2TMS,isomer #14CC(C)(N)C(=O)NC(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN[Si](C)(C)C)C(N)=O)[Si](C)(C)C9633.1Standard polar33892256
Ipamorelin,2TMS,isomer #15CC(C)(N)C(=O)NC(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(N)=O6024.1Semi standard non polar33892256
Ipamorelin,2TMS,isomer #15CC(C)(N)C(=O)NC(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(N)=O5382.8Standard non polar33892256
Ipamorelin,2TMS,isomer #15CC(C)(N)C(=O)NC(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(N)=O9806.0Standard polar33892256
Ipamorelin,2TMS,isomer #16CC(C)(N)C(=O)N(C(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)N[Si](C)(C)C)[Si](C)(C)C5679.2Semi standard non polar33892256
Ipamorelin,2TMS,isomer #16CC(C)(N)C(=O)N(C(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)N[Si](C)(C)C)[Si](C)(C)C5308.7Standard non polar33892256
Ipamorelin,2TMS,isomer #16CC(C)(N)C(=O)N(C(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)N[Si](C)(C)C)[Si](C)(C)C9423.7Standard polar33892256
Ipamorelin,2TMS,isomer #17CC(C)(N)C(=O)NC(CC1=CN=CN1[Si](C)(C)C)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)N[Si](C)(C)C5916.0Semi standard non polar33892256
Ipamorelin,2TMS,isomer #17CC(C)(N)C(=O)NC(CC1=CN=CN1[Si](C)(C)C)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)N[Si](C)(C)C5300.6Standard non polar33892256
Ipamorelin,2TMS,isomer #17CC(C)(N)C(=O)NC(CC1=CN=CN1[Si](C)(C)C)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)N[Si](C)(C)C9564.0Standard polar33892256
Ipamorelin,2TMS,isomer #18CC(C)(N)C(=O)NC(CC1=CN=C[NH]1)C(=O)N(C(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)N[Si](C)(C)C)[Si](C)(C)C5760.9Semi standard non polar33892256
Ipamorelin,2TMS,isomer #18CC(C)(N)C(=O)NC(CC1=CN=C[NH]1)C(=O)N(C(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)N[Si](C)(C)C)[Si](C)(C)C5240.6Standard non polar33892256
Ipamorelin,2TMS,isomer #18CC(C)(N)C(=O)NC(CC1=CN=C[NH]1)C(=O)N(C(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)N[Si](C)(C)C)[Si](C)(C)C9552.4Standard polar33892256
Ipamorelin,2TMS,isomer #19CC(C)(N)C(=O)NC(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)N[Si](C)(C)C)[Si](C)(C)C5747.7Semi standard non polar33892256
Ipamorelin,2TMS,isomer #19CC(C)(N)C(=O)NC(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)N[Si](C)(C)C)[Si](C)(C)C5233.3Standard non polar33892256
Ipamorelin,2TMS,isomer #19CC(C)(N)C(=O)NC(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)N[Si](C)(C)C)[Si](C)(C)C9542.6Standard polar33892256
Ipamorelin,2TMS,isomer #2CC(C)(N[Si](C)(C)C)C(=O)NC(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)N[Si](C)(C)C5973.9Semi standard non polar33892256
Ipamorelin,2TMS,isomer #2CC(C)(N[Si](C)(C)C)C(=O)NC(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)N[Si](C)(C)C5338.1Standard non polar33892256
Ipamorelin,2TMS,isomer #2CC(C)(N[Si](C)(C)C)C(=O)NC(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)N[Si](C)(C)C8931.1Standard polar33892256
Ipamorelin,2TMS,isomer #20CC(C)(N)C(=O)NC(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN)C(=O)N[Si](C)(C)C)[Si](C)(C)C5649.1Semi standard non polar33892256
Ipamorelin,2TMS,isomer #20CC(C)(N)C(=O)NC(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN)C(=O)N[Si](C)(C)C)[Si](C)(C)C5234.2Standard non polar33892256
Ipamorelin,2TMS,isomer #20CC(C)(N)C(=O)NC(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN)C(=O)N[Si](C)(C)C)[Si](C)(C)C9546.5Standard polar33892256
Ipamorelin,2TMS,isomer #21CC(C)(N)C(=O)NC(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)N([Si](C)(C)C)[Si](C)(C)C5864.7Semi standard non polar33892256
Ipamorelin,2TMS,isomer #21CC(C)(N)C(=O)NC(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)N([Si](C)(C)C)[Si](C)(C)C5342.7Standard non polar33892256
Ipamorelin,2TMS,isomer #21CC(C)(N)C(=O)NC(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)N([Si](C)(C)C)[Si](C)(C)C9580.7Standard polar33892256
Ipamorelin,2TMS,isomer #22CC(C)(N)C(=O)N(C(CC1=CN=CN1[Si](C)(C)C)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(N)=O)[Si](C)(C)C5824.0Semi standard non polar33892256
Ipamorelin,2TMS,isomer #22CC(C)(N)C(=O)N(C(CC1=CN=CN1[Si](C)(C)C)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(N)=O)[Si](C)(C)C5282.1Standard non polar33892256
Ipamorelin,2TMS,isomer #22CC(C)(N)C(=O)N(C(CC1=CN=CN1[Si](C)(C)C)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(N)=O)[Si](C)(C)C9965.2Standard polar33892256
Ipamorelin,2TMS,isomer #23CC(C)(N)C(=O)N(C(CC1=CN=C[NH]1)C(=O)N(C(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(N)=O)[Si](C)(C)C)[Si](C)(C)C5650.1Semi standard non polar33892256
Ipamorelin,2TMS,isomer #23CC(C)(N)C(=O)N(C(CC1=CN=C[NH]1)C(=O)N(C(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(N)=O)[Si](C)(C)C)[Si](C)(C)C5231.4Standard non polar33892256
Ipamorelin,2TMS,isomer #23CC(C)(N)C(=O)N(C(CC1=CN=C[NH]1)C(=O)N(C(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(N)=O)[Si](C)(C)C)[Si](C)(C)C9958.6Standard polar33892256
Ipamorelin,2TMS,isomer #24CC(C)(N)C(=O)N(C(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(N)=O)[Si](C)(C)C)[Si](C)(C)C5661.0Semi standard non polar33892256
Ipamorelin,2TMS,isomer #24CC(C)(N)C(=O)N(C(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(N)=O)[Si](C)(C)C)[Si](C)(C)C5213.5Standard non polar33892256
Ipamorelin,2TMS,isomer #24CC(C)(N)C(=O)N(C(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(N)=O)[Si](C)(C)C)[Si](C)(C)C9948.9Standard polar33892256
Ipamorelin,2TMS,isomer #25CC(C)(N)C(=O)N(C(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN)C(N)=O)[Si](C)(C)C)[Si](C)(C)C5604.2Semi standard non polar33892256
Ipamorelin,2TMS,isomer #25CC(C)(N)C(=O)N(C(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN)C(N)=O)[Si](C)(C)C)[Si](C)(C)C5196.8Standard non polar33892256
Ipamorelin,2TMS,isomer #25CC(C)(N)C(=O)N(C(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN)C(N)=O)[Si](C)(C)C)[Si](C)(C)C9894.1Standard polar33892256
Ipamorelin,2TMS,isomer #26CC(C)(N)C(=O)NC(CC1=CN=CN1[Si](C)(C)C)C(=O)N(C(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(N)=O)[Si](C)(C)C5910.5Semi standard non polar33892256
Ipamorelin,2TMS,isomer #26CC(C)(N)C(=O)NC(CC1=CN=CN1[Si](C)(C)C)C(=O)N(C(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(N)=O)[Si](C)(C)C5219.3Standard non polar33892256
Ipamorelin,2TMS,isomer #26CC(C)(N)C(=O)NC(CC1=CN=CN1[Si](C)(C)C)C(=O)N(C(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(N)=O)[Si](C)(C)C10075.3Standard polar33892256
Ipamorelin,2TMS,isomer #27CC(C)(N)C(=O)NC(CC1=CN=CN1[Si](C)(C)C)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(N)=O)[Si](C)(C)C5891.6Semi standard non polar33892256
Ipamorelin,2TMS,isomer #27CC(C)(N)C(=O)NC(CC1=CN=CN1[Si](C)(C)C)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(N)=O)[Si](C)(C)C5202.6Standard non polar33892256
Ipamorelin,2TMS,isomer #27CC(C)(N)C(=O)NC(CC1=CN=CN1[Si](C)(C)C)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(N)=O)[Si](C)(C)C10071.8Standard polar33892256
Ipamorelin,2TMS,isomer #28CC(C)(N)C(=O)NC(CC1=CN=CN1[Si](C)(C)C)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN)C(N)=O)[Si](C)(C)C5828.5Semi standard non polar33892256
Ipamorelin,2TMS,isomer #28CC(C)(N)C(=O)NC(CC1=CN=CN1[Si](C)(C)C)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN)C(N)=O)[Si](C)(C)C5194.0Standard non polar33892256
Ipamorelin,2TMS,isomer #28CC(C)(N)C(=O)NC(CC1=CN=CN1[Si](C)(C)C)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN)C(N)=O)[Si](C)(C)C10017.3Standard polar33892256
Ipamorelin,2TMS,isomer #29CC(C)(N)C(=O)NC(CC1=CN=C[NH]1)C(=O)N(C(CC1=CC=C2C=CC=CC2=C1)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(N)=O)[Si](C)(C)C)[Si](C)(C)C5737.1Semi standard non polar33892256
Ipamorelin,2TMS,isomer #29CC(C)(N)C(=O)NC(CC1=CN=C[NH]1)C(=O)N(C(CC1=CC=C2C=CC=CC2=C1)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(N)=O)[Si](C)(C)C)[Si](C)(C)C5161.0Standard non polar33892256
Ipamorelin,2TMS,isomer #29CC(C)(N)C(=O)NC(CC1=CN=C[NH]1)C(=O)N(C(CC1=CC=C2C=CC=CC2=C1)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(N)=O)[Si](C)(C)C)[Si](C)(C)C10063.0Standard polar33892256
Ipamorelin,2TMS,isomer #3CC(C)(C(=O)NC(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(N)=O)N([Si](C)(C)C)[Si](C)(C)C6042.5Semi standard non polar33892256
Ipamorelin,2TMS,isomer #3CC(C)(C(=O)NC(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(N)=O)N([Si](C)(C)C)[Si](C)(C)C5427.7Standard non polar33892256
Ipamorelin,2TMS,isomer #3CC(C)(C(=O)NC(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(N)=O)N([Si](C)(C)C)[Si](C)(C)C9667.9Standard polar33892256
Ipamorelin,2TMS,isomer #30CC(C)(N)C(=O)NC(CC1=CN=C[NH]1)C(=O)N(C(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN)C(N)=O)[Si](C)(C)C)[Si](C)(C)C5661.5Semi standard non polar33892256
Ipamorelin,2TMS,isomer #30CC(C)(N)C(=O)NC(CC1=CN=C[NH]1)C(=O)N(C(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN)C(N)=O)[Si](C)(C)C)[Si](C)(C)C5146.2Standard non polar33892256
Ipamorelin,2TMS,isomer #30CC(C)(N)C(=O)NC(CC1=CN=C[NH]1)C(=O)N(C(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN)C(N)=O)[Si](C)(C)C)[Si](C)(C)C10004.5Standard polar33892256
Ipamorelin,2TMS,isomer #31CC(C)(N)C(=O)NC(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)N(C(CC1=CC=CC=C1)C(=O)N(C(CCCCN)C(N)=O)[Si](C)(C)C)[Si](C)(C)C5644.9Semi standard non polar33892256
Ipamorelin,2TMS,isomer #31CC(C)(N)C(=O)NC(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)N(C(CC1=CC=CC=C1)C(=O)N(C(CCCCN)C(N)=O)[Si](C)(C)C)[Si](C)(C)C5141.9Standard non polar33892256
Ipamorelin,2TMS,isomer #31CC(C)(N)C(=O)NC(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)N(C(CC1=CC=CC=C1)C(=O)N(C(CCCCN)C(N)=O)[Si](C)(C)C)[Si](C)(C)C10006.9Standard polar33892256
Ipamorelin,2TMS,isomer #4CC(C)(N[Si](C)(C)C)C(=O)N(C(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(N)=O)[Si](C)(C)C5861.8Semi standard non polar33892256
Ipamorelin,2TMS,isomer #4CC(C)(N[Si](C)(C)C)C(=O)N(C(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(N)=O)[Si](C)(C)C5276.9Standard non polar33892256
Ipamorelin,2TMS,isomer #4CC(C)(N[Si](C)(C)C)C(=O)N(C(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(N)=O)[Si](C)(C)C9511.5Standard polar33892256
Ipamorelin,2TMS,isomer #5CC(C)(N[Si](C)(C)C)C(=O)NC(CC1=CN=CN1[Si](C)(C)C)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(N)=O6089.0Semi standard non polar33892256
Ipamorelin,2TMS,isomer #5CC(C)(N[Si](C)(C)C)C(=O)NC(CC1=CN=CN1[Si](C)(C)C)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(N)=O5306.6Standard non polar33892256
Ipamorelin,2TMS,isomer #5CC(C)(N[Si](C)(C)C)C(=O)NC(CC1=CN=CN1[Si](C)(C)C)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(N)=O9556.2Standard polar33892256
Ipamorelin,2TMS,isomer #6CC(C)(N[Si](C)(C)C)C(=O)NC(CC1=CN=C[NH]1)C(=O)N(C(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(N)=O)[Si](C)(C)C5934.6Semi standard non polar33892256
Ipamorelin,2TMS,isomer #6CC(C)(N[Si](C)(C)C)C(=O)NC(CC1=CN=C[NH]1)C(=O)N(C(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(N)=O)[Si](C)(C)C5245.6Standard non polar33892256
Ipamorelin,2TMS,isomer #6CC(C)(N[Si](C)(C)C)C(=O)NC(CC1=CN=C[NH]1)C(=O)N(C(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(N)=O)[Si](C)(C)C9538.4Standard polar33892256
Ipamorelin,2TMS,isomer #7CC(C)(N[Si](C)(C)C)C(=O)NC(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(N)=O)[Si](C)(C)C5917.5Semi standard non polar33892256
Ipamorelin,2TMS,isomer #7CC(C)(N[Si](C)(C)C)C(=O)NC(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(N)=O)[Si](C)(C)C5232.2Standard non polar33892256
Ipamorelin,2TMS,isomer #7CC(C)(N[Si](C)(C)C)C(=O)NC(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(N)=O)[Si](C)(C)C9538.9Standard polar33892256
Ipamorelin,2TMS,isomer #8CC(C)(N[Si](C)(C)C)C(=O)NC(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN)C(N)=O)[Si](C)(C)C5860.0Semi standard non polar33892256
Ipamorelin,2TMS,isomer #8CC(C)(N[Si](C)(C)C)C(=O)NC(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN)C(N)=O)[Si](C)(C)C5225.3Standard non polar33892256
Ipamorelin,2TMS,isomer #8CC(C)(N[Si](C)(C)C)C(=O)NC(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN)C(N)=O)[Si](C)(C)C9471.2Standard polar33892256
Ipamorelin,2TMS,isomer #9CC(C)(N)C(=O)NC(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)N[Si](C)(C)C5942.9Semi standard non polar33892256
Ipamorelin,2TMS,isomer #9CC(C)(N)C(=O)NC(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)N[Si](C)(C)C5321.0Standard non polar33892256
Ipamorelin,2TMS,isomer #9CC(C)(N)C(=O)NC(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)N[Si](C)(C)C9156.5Standard polar33892256
Ipamorelin,1TBDMS,isomer #1CC(C)(N[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(N)=O6328.3Semi standard non polar33892256
Ipamorelin,1TBDMS,isomer #1CC(C)(N[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(N)=O5500.5Standard non polar33892256
Ipamorelin,1TBDMS,isomer #1CC(C)(N[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(N)=O9773.4Standard polar33892256
Ipamorelin,1TBDMS,isomer #2CC(C)(N)C(=O)NC(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN[Si](C)(C)C(C)(C)C)C(N)=O6316.2Semi standard non polar33892256
Ipamorelin,1TBDMS,isomer #2CC(C)(N)C(=O)NC(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN[Si](C)(C)C(C)(C)C)C(N)=O5504.3Standard non polar33892256
Ipamorelin,1TBDMS,isomer #2CC(C)(N)C(=O)NC(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN[Si](C)(C)C(C)(C)C)C(N)=O9950.7Standard polar33892256
Ipamorelin,1TBDMS,isomer #3CC(C)(N)C(=O)NC(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)N[Si](C)(C)C(C)(C)C6174.1Semi standard non polar33892256
Ipamorelin,1TBDMS,isomer #3CC(C)(N)C(=O)NC(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)N[Si](C)(C)C(C)(C)C5475.2Standard non polar33892256
Ipamorelin,1TBDMS,isomer #3CC(C)(N)C(=O)NC(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)N[Si](C)(C)C(C)(C)C9781.7Standard polar33892256
Ipamorelin,1TBDMS,isomer #4CC(C)(N)C(=O)N(C(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(N)=O)[Si](C)(C)C(C)(C)C6130.6Semi standard non polar33892256
Ipamorelin,1TBDMS,isomer #4CC(C)(N)C(=O)N(C(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(N)=O)[Si](C)(C)C(C)(C)C5465.5Standard non polar33892256
Ipamorelin,1TBDMS,isomer #4CC(C)(N)C(=O)N(C(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(N)=O)[Si](C)(C)C(C)(C)C10169.3Standard polar33892256
Ipamorelin,1TBDMS,isomer #5CC(C)(N)C(=O)NC(CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(N)=O6291.0Semi standard non polar33892256
Ipamorelin,1TBDMS,isomer #5CC(C)(N)C(=O)NC(CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(N)=O5437.3Standard non polar33892256
Ipamorelin,1TBDMS,isomer #5CC(C)(N)C(=O)NC(CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(N)=O10295.0Standard polar33892256
Ipamorelin,1TBDMS,isomer #6CC(C)(N)C(=O)NC(CC1=CN=C[NH]1)C(=O)N(C(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(N)=O)[Si](C)(C)C(C)(C)C6192.6Semi standard non polar33892256
Ipamorelin,1TBDMS,isomer #6CC(C)(N)C(=O)NC(CC1=CN=C[NH]1)C(=O)N(C(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(N)=O)[Si](C)(C)C(C)(C)C5391.8Standard non polar33892256
Ipamorelin,1TBDMS,isomer #6CC(C)(N)C(=O)NC(CC1=CN=C[NH]1)C(=O)N(C(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(N)=O)[Si](C)(C)C(C)(C)C10259.5Standard polar33892256
Ipamorelin,1TBDMS,isomer #7CC(C)(N)C(=O)NC(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(N)=O)[Si](C)(C)C(C)(C)C6175.2Semi standard non polar33892256
Ipamorelin,1TBDMS,isomer #7CC(C)(N)C(=O)NC(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(N)=O)[Si](C)(C)C(C)(C)C5382.2Standard non polar33892256
Ipamorelin,1TBDMS,isomer #7CC(C)(N)C(=O)NC(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)N(C(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(N)=O)[Si](C)(C)C(C)(C)C10255.4Standard polar33892256
Ipamorelin,1TBDMS,isomer #8CC(C)(N)C(=O)NC(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN)C(N)=O)[Si](C)(C)C(C)(C)C6104.0Semi standard non polar33892256
Ipamorelin,1TBDMS,isomer #8CC(C)(N)C(=O)NC(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN)C(N)=O)[Si](C)(C)C(C)(C)C5380.3Standard non polar33892256
Ipamorelin,1TBDMS,isomer #8CC(C)(N)C(=O)NC(CC1=CN=C[NH]1)C(=O)NC(CC1=CC=C2C=CC=CC2=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)N(C(CCCCN)C(N)=O)[Si](C)(C)C(C)(C)C10208.9Standard polar33892256
Spectra

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ipamorelin 10V, Positive-QTOFsplash10-03di-0000003900-90c72fcfe8267064da962021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ipamorelin 20V, Positive-QTOFsplash10-03fs-2420129200-1dfbb61f2a4e363fd0be2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ipamorelin 40V, Positive-QTOFsplash10-05bf-7900000000-a0c123ff8409316fd76d2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ipamorelin 10V, Negative-QTOFsplash10-03di-2000001900-90d0e20f7a4f80b3d70a2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ipamorelin 20V, Negative-QTOFsplash10-0006-9100000000-6dfff6fd9ed88614cd132021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ipamorelin 40V, Negative-QTOFsplash10-0006-9800120000-96d86848f4f1ff87bca02021-10-12Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal 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 ID11473554
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkIpamorelin
METLIN IDNot Available
PubChem Compound22573923
PDB IDNot Available
ChEBI IDNot Available
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. Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]