CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00067010" in compound.

Total 1 results found.

Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

Search Results

CFAM Mol ID CFAMM00067010
Family CFFAD456 Cyclooxygenase Inhibitor Flurbiprofen Family
Superfamily CFSAD395 Cyclooxygenase Inhibitor Flurbiprofen Superfamily
Class CFCAD368 Class 368
External ID HMDB40427 External Source HMDB
PubChem CID 31210 Functional Category Human Metabolite
Molecule Name Butyl phenylacetate
IUPAC Name butyl 2-phenylacetate
Synonyms Acetic acid, phenyl-, butyl ester;Benzeneacetic acid, butyl ester;Butyl alpha-toluate;Butyl benzene acetate;Butyl benzeneacetate;Butyl phenyl acetate;Butyl phenylacetate;Butyl phenylethanoate;FEMA 2209;N-Butyl phenylacetate;Phenylacetic acid butyl ester;Phenylethanoic acid butyl ester
InChi InChI=1S/C12H16O2/c1-2-3-9-14-12(13)10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3
InChiKey LDOXTQYWWYXYSQ-UHFFFAOYSA-N
Formula C12H16O2 Molecular Weight 192.25
Cross Link
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
 

 

73380 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


All rights reserved.

   
 
 
Computer-aided Drug Design
about BIDD |  databases |  software |  teaching |  research |  links

 

Department of Computational Science | National University of Singapore | Blk S17, 3 Science Drive 2, Singapore 117543

hdnkeywordtype:MiniFieldStorage('hdnkeywordtype', 'compound'),None, hdnkeywordtype, compound|txtsearch:MiniFieldStorage('txtsearch', 'CFAMM00067010'),None, txtsearch, CFAMM00067010|