CFam Chemical Families Database
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You are searching for "CFAMM00037983" in compound.

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CFAM Mol ID CFAMM00037983
Family CFFAD216 Gastrin/cholecystokinin type B receptor ligand peptide Pentagastrin Family
Superfamily CFSAD196 peptide hormone receptor ligand peptide Pentagastrin Octreotide Superfamily
Class CFCAD189 Class 189
External ID CHEMBL269189 External Source CHEMBL
PubChem CID 44304668 Functional Category Bioactive
Molecule Name (3S)-3-[[(2S)-2-[[(2R)-2-acetamido-2-(6,11-dihydro-5H-dibenzo[1,2-a:1',2'-e][7]annulen-11-yl)acetyl]amino]-4-methylsulfanylbutanoyl]amino]-4-[[(2S,3S)-1-[[(2S,3S)-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid
IUPAC Name (3S)-3-[[(2S)-2-[[(2R)-2-acetamido-2-(6,11-dihydro-5H-dibenzo[1,2-a:1',2'-e][7]annulen-11-yl)acetyl]amino]-4-methylsulfanylbutanoyl]amino]-4-[[(2S,3S)-1-[[(2S,3S)-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid
Synonyms CHEBI:198454
InChi InChI=1S/C51H65N7O10S/c1-7-28(3)43(48(64)56-40(51(67)68)25-33-27-52-37-20-14-13-17-34(33)37)58-49(65)44(29(4)8-2)57-47(63)39(26-41(60)61)55-46(62)38(23-24-69-6)54-50(66)45(53-30(5)59)42-35-18-11-9-15-31(35)21-22-32-16-10-12-19-36(32)42/h9-20,27-29,38-40,42-45,52H,7-8,21-26H2,1-6H3,(H,53,59)(H,54,66)(H,55,62)(H,56,64)(H,57,63)(H,58,65)(H,60,61)(H,67,68)/t28-,29-,38-,39-,40-,43-,44-,45+/m0/s1
InChiKey VBEUXIWTWJTWCN-DXCYWJGUSA-N
Formula C51H65N7O10S Molecular Weight 968.17
Cross Link CHEMBL269189
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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National University of Singapore, Singapore


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