CFam Chemical Families Database
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You are searching for "CFAMM00039486" in compound.

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Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00039486
Family CFFAD224 Oxytocin receptor Ligand Oxytocin Family
Superfamily CFSAD18 Oxytocin receptor and Vasopressin V2 receptor Binder Superfamily
Class CFCAD18 Class 18
External ID CHEMBL386749 External Source CHEMBL
PubChem CID 44401149 Functional Category Bioactive
Molecule Name (2S)-2-[[2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-(4-phosphonooxyphenyl)propanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]pentanedioic acid
IUPAC Name (2S)-2-[[2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-(4-phosphonooxyphenyl)propanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]pentanedioic acid
Synonyms CHEBI:424064
InChi InChI=1S/C45H66N9O16PS/c1-24(2)19-32(40(60)48-23-36(56)49-31(45(65)66)15-16-37(57)58)51-43(63)34(22-35(47)55)53-42(62)33(21-27-11-13-28(14-12-27)70-71(67,68)69)52-41(61)30(17-18-72-5)50-44(64)38(25(3)4)54-39(59)29(46)20-26-9-7-6-8-10-26/h6-14,24-25,29-34,38H,15-23,46H2,1-5H3,(H2,47,55)(H,48,60)(H,49,56)(H,50,64)(H,51,63)(H,52,61)(H,53,62)(H,54,59)(H,57,58)(H,65,66)(H2,67,68,69)/t29-,30-,31-,32-,33-,34-,38-/m0/s1
InChiKey UACTXOVDZOOBTF-CDKUOFBKSA-N
Formula C45H66N9O16PS Molecular Weight 1052.10
Cross Link CHEMBL386749
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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