CFam Chemical Families Database
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You are searching for "CFAMM00302020" in compound.

Total 1 results found.

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 CFAMM00302020
Family CFFID4065 Serine/threonine protein phosphatase PP1-alpha 1 catalytic subunit Inhibitor MICROCYSTIN-LR Family
Superfamily CFSID1298 Beta-secretase 1 and Caspase-4 Binder Superfamily
Class CFCAD608 Class 608
External ID CHEMBL17738 External Source CHEMBL
PubChem CID 44271411 Functional Category Bioactive
Molecule Name Microcystin-LA
IUPAC Name (3R,11R,14S,15S,18S,21S,22R,25S)-15-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-3,7,14,18,21-pentamethyl-6-methylidene-25-(2-methylpropyl)-2,5,8,13,17,20,24-heptaoxo-1,4,7,12,16,19-hexazacyclopentacosane-11,22-dicarboxylic acid
Synonyms CHEBI:119096
InChi InChI=1S/C47H68N6O12/c1-25(2)21-37-38(54)24-34(46(61)62)28(5)41(56)48-30(7)43(58)50-35(18-17-26(3)22-27(4)39(65-11)23-33-15-13-12-14-16-33)29(6)42(57)51-36(47(63)64)19-20-40(55)53(10)32(9)45(60)49-31(8)44(59)52-37/h12-18,22,25,27-31,34-37,39H,9,19-21,23-24H2,1-8,10-11H3,(H,48,56)(H,49,60)(H,50,58)(H,51,57)(H,52,59)(H,61,62)(H,63,64)/b18-17+,26-22+/t27-,28-,29-,30-,31+,34+,35-,36+,37-,39-/m0/s1
InChiKey GWYNIYAIEYBZQG-VRRJEYQWSA-N
Formula C47H68N6O12 Molecular Weight 909.08
Cross Link CHEMBL17738
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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