CFam Chemical Families Database
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You are searching for "CFAMM00037319" in compound.

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CFAM Mol ID CFAMM00037319
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 CHEMBL137659 External Source CHEMBL
PubChem CID 44357347 Functional Category Bioactive
Molecule Name 2-[(3S,6S,9R,12S,15R)-12-[(2S)-butan-2-yl]-6-(1H-indol-3-ylmethyl)-9-(2-methylpropyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-3-yl]acetic acid
IUPAC Name 2-[(3S,6S,9R,12S,15R)-12-[(2S)-butan-2-yl]-6-(1H-indol-3-ylmethyl)-9-(2-methylpropyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-3-yl]acetic acid
Synonyms
InChi InChI=1S/C32H44N6O7/c1-5-18(4)27-31(44)35-22(13-17(2)3)28(41)34-23(14-19-16-33-21-10-7-6-9-20(19)21)29(42)36-24(15-26(39)40)32(45)38-12-8-11-25(38)30(43)37-27/h6-7,9-10,16-18,22-25,27,33H,5,8,11-15H2,1-4H3,(H,34,41)(H,35,44)(H,36,42)(H,37,43)(H,39,40)/t18-,22+,23-,24-,25+,27-/m0/s1
InChiKey KHRTUHCOJNQEQG-ARXLISONSA-N
Formula C32H44N6O7 Molecular Weight 624.73
Cross Link CHEMBL137659
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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