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

48690 visits since 2014 .........

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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