CFam Chemical Families Database
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You are searching for "CFAMM00056323" in compound.

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CFAM Mol ID CFAMM00056323
Family CFFAD398 Glucan synthesis regulatory protein Inhibitor Caspofungin Family
Superfamily CFSAD344 Glucan synthesis regulatory protein Inhibitor Caspofungin Superfamily
Class CFCAD323 Class 323
External ID CHEMBL437803 External Source CHEMBL
PubChem CID 5742647 Functional Category Bioactive
Molecule Name CHEMBL437803
IUPAC Name
Synonyms CHEBI:215194;10,12-Dimethyl-tetradecanoic acid [3-(3-amino-1-hydroxy-propyl)-6-[1,2-dihydroxy-2-(4-hydroxy-phenyl)-ethyl]-11,20,21,25-tetrahydroxy-15-(1-hydroxy-ethyl)-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexaaza
InChi InChI=1S/C50H82N8O16/c1-5-26(2)22-27(3)12-10-8-6-7-9-11-13-37(65)52-32-24-36(64)46(70)56-48(72)41-35(63)19-21-57(41)50(74)39(34(62)18-20-51)54-47(71)40(43(67)42(66)29-14-16-30(60)17-15-29)55-45(69)33-23-31(61)25-58(33)49(73)38(28(4)59)53-44(32)68/h14-17,26-28,31-36,38-43,46,59-64,66-67,70H,5-13,18-25,51H2,1-4H3,(H,52,65)(H,53,68)(H,54,71)(H,55,69)(H,56,72)/t26?,27?,28-,31-,32+,33+,34-,35+,36-,38+,39+,40+,41+,42+,43+,46-/m1/s1
InChiKey OXVVQYCKEAJWFA-QVCGFCSKSA-N
Formula C50H82N8O16 Molecular Weight 1051.23
Cross Link CHEMBL437803
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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