CFam Chemical Families Database
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You are searching for "CFAMM00108744" in compound.

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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 CFAMM00108744
Family CFFAD856 Bacterial outer membrane Inhibitor Daptomycin Family
Superfamily CFSAD718 Bacterial outer membrane Inhibitor Daptomycin Superfamily
Class CFCAD647 Class 647
External ID CHEMBL193281 External Source CHEMBL
PubChem CID 11422983 Functional Category Bioactive
Molecule Name 2-[(9S,10S,11E,14R,18S)-18-(2-amino-2-oxoethyl)-10-[4-[[benzyl(hydroxy)phosphoryl]methyl]phenyl]-14-[(5-methylindol-1-yl)methyl]-8,17,20-trioxo-7,16,19-triazaspiro[5.14]icos-11-en-9-yl]acetic acid
IUPAC Name 2-[(9S,10S,11E,14R,18S)-18-(2-amino-2-oxoethyl)-10-[4-[[benzyl(hydroxy)phosphoryl]methyl]phenyl]-14-[(5-methylindol-1-yl)methyl]-8,17,20-trioxo-7,16,19-triazaspiro[5.14]icos-11-en-9-yl]acetic acid
Synonyms CHEBI:422916
InChi InChI=1S/C45H54N5O8P/c1-30-13-18-39-35(23-30)19-22-50(39)27-33-11-8-12-36(34-16-14-32(15-17-34)29-59(57,58)28-31-9-4-2-5-10-31)37(24-41(52)53)42(54)49-45(20-6-3-7-21-45)44(56)48-38(25-40(46)51)43(55)47-26-33/h2,4-5,8-10,12-19,22-23,33,36-38H,3,6-7,11,20-21,24-29H2,1H3,(H2,46,51)(H,47,55)(H,48,56)(H,49,54)(H,52,53)(H,57,58)/b12-8+/t33-,36-,37+,38+/m1/s1
InChiKey WWHGZGAMKKXJAA-SSXRZIRRSA-N
Formula C45H54N5O8P Molecular Weight 823.91
Cross Link CHEMBL193281
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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