CFAM Mol ID	CFAMM00108718
Family	CFFAD856 Bacterial outer membrane Inhibitor Daptomycin Family
Superfamily	CFSAD718 Bacterial outer membrane Inhibitor Daptomycin Superfamily
Class	CFCAD647 Class 647
External ID	CHEMBL2112924	External Source	CHEMBL
PubChem CID	71461644	Functional Category	Bioactive
Molecule Name	2-[(2S,5S,8S,12S)-5,8-dibenzyl-2-(1H-indol-3-ylmethyl)-3,6,11,14-tetraoxo-1,4,7,10-tetrazacyclotetradec-12-yl]-N-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide
IUPAC Name	2-[(2S,5S,8S,12S)-5,8-dibenzyl-2-(1H-indol-3-ylmethyl)-3,6,11,14-tetraoxo-1,4,7,10-tetrazacyclotetradec-12-yl]-N-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide
Synonyms
InChi	InChI=1S/C41H48N6O10/c48-22-32-35(51)36(52)37(53)41(57-32)47-34(50)19-25-18-33(49)45-31(17-26-20-42-29-14-8-7-13-28(26)29)40(56)46-30(16-24-11-5-2-6-12-24)39(55)44-27(21-43-38(25)54)15-23-9-3-1-4-10-23/h1-14,20,25,27,30-32,35-37,41-42,48,51-53H,15-19,21-22H2,(H,43,54)(H,44,55)(H,45,49)(H,46,56)(H,47,50)/t25-,27-,30-,31-,32?,35?,36?,37?,41?/m0/s1
InChiKey	MAJNAZICSRKGLG-DPSFUIKSSA-N
Formula	C41H48N6O10	Molecular Weight	784.85
Cross Link	CHEMBL2112924
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

48680 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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