CFam Chemical Families Database
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You are searching for "CFAMM00039549" in compound.

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CFAM Mol ID CFAMM00039549
Family CFFAD224 Oxytocin receptor Ligand Oxytocin Family
Superfamily CFSAD18 Oxytocin receptor and Vasopressin V2 receptor Binder Superfamily
Class CFCAD18 Class 18
External ID CHEMBL20144 External Source CHEMBL
PubChem CID 44273106 Functional Category Bioactive
Molecule Name (2S)-2-[[(2S,3S)-2-[[4-carboxy-2-[[4-carboxy-2-[[(2R)-2-(carboxymethyl)-3-(4-phosphonooxyphenyl)propanoyl]amino]butanoyl]amino]butanoyl]amino]-3-methylpentanoyl]amino]pentanedioic acid
IUPAC Name (2S)-2-[[(2S,3S)-2-[[4-carboxy-2-[[4-carboxy-2-[[(2R)-2-(carboxymethyl)-3-(4-phosphonooxyphenyl)propanoyl]amino]butanoyl]amino]butanoyl]amino]-3-methylpentanoyl]amino]pentanedioic acid
Synonyms CHEBI:123665
InChi InChI=1S/C32H45N4O18P/c1-3-16(2)27(31(48)35-22(32(49)50)10-13-25(41)42)36-30(47)21(9-12-24(39)40)34-29(46)20(8-11-23(37)38)33-28(45)18(15-26(43)44)14-17-4-6-19(7-5-17)54-55(51,52)53/h4-7,16,18,20-22,27H,3,8-15H2,1-2H3,(H,33,45)(H,34,46)(H,35,48)(H,36,47)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,49,50)(H2,51,52,53)/t16-,18+,20?,21?,22-,27-/m0/s1
InChiKey HFSAXNQIQLDYSJ-IWQHALDHSA-N
Formula C32H45N4O18P Molecular Weight 804.69
Cross Link CHEMBL20144
Structure

Statistics of CFAM Database

 
CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.
 

How to cite our database

 
C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering. Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).
 

Last update by

 
2014.08.29
 

 

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Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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