CFam Chemical Families Database
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You are searching for "CFAMM00330546" 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 CFAMM00330546
Family CFFBM2109 Serine palmitoyltransferase 1 and Serine palmitoyltransferase 2 inhibitor AC1NQTB7 family
Superfamily CFSAD644 Neprilysin Inhibitor Candoxatril Superfamily
Class CFCAD579 Class 579
External ID CHEMBL1241090 External Source CHEMBL
PubChem CID 5278629 Functional Category Bioactive
Molecule Name AC1NQTB7
IUPAC Name (2S)-2-[(E,2S)-1-[[(1S)-1-carboxy-2-[4-(3-methylbut-2-enoxy)phenyl]ethyl]amino]-1,11-dioxooctadec-3-en-2-yl]-2-hydroxybutanedioic acid
Synonyms SureCN6748045;CHEBI:800306;2-(1-{1-Carboxy-2-[4-(3-methyl-but-2-enyloxy)-phenyl]-ethylcarbamoyl}-10-oxo-heptadec-2-enyl)-2-hydroxy-succinic acid;(2S)-2-hydroxy-2-[(E,2S)-1-[[(2S)-1-hydroxy-3-[4-(3-methylbut-2-enoxy)phenyl]-1-oxopropan-2-yl]amino]-1,11-dioxooctadec-3-en-2-yl]butanedioic acid;(S)-2-((E)-(S)-1-{(S)-1-Carboxy-2-[4-(3-methyl-but-2-enyloxy)-phenyl]-ethylcarbamoyl}-10-oxo-heptadec-2-enyl)-2-hydroxy-succinic acid
InChi InChI=1S/C36H53NO10/c1-4-5-6-9-12-15-28(38)16-13-10-7-8-11-14-17-30(36(46,35(44)45)25-32(39)40)33(41)37-31(34(42)43)24-27-18-20-29(21-19-27)47-23-22-26(2)3/h14,17-22,30-31,46H,4-13,15-16,23-25H2,1-3H3,(H,37,41)(H,39,40)(H,42,43)(H,44,45)/b17-14+/t30-,31+,36+/m1/s1
InChiKey PWGWYCCXYVMVCW-BYVXVEJPSA-N
Formula C36H53NO10 Molecular Weight 659.81
Cross Link CHEMBL1241090
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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