CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00540497" 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 CFAMM00540497
Family CFFHM1322 Carboxylic Acids and Derivatives Metabolite 3-Acetoxy-3-methyl-1-phenylbutane Family
Superfamily CFSHM745 Carboxylic Acids and Derivatives Metabolite 3-Acetoxy-3-methyl-1-phenylbutane Superfamily
Class CFCAD152 Class 152
External ID HMDB37640 External Source HMDB
PubChem CID 61446 Functional Category Human Metabolite
Molecule Name 2-Methyl-4-phenyl-2-butyl 2-methylpropanoate
IUPAC Name 2-methyl-4-phenylbutan-2-yl 2-methylpropanoate
Synonyms 1,1-Dimethyl-3-phenylpropyl 2-methylpropanoate;1,1-Dimethyl-3-phenylpropyl isobutyrate;2-Methyl-4-phenyl-2-butyl 2-methylpropanoate;2-Methyl-4-phenyl-2-butyl isobutyrate;Dimethyl phenethyl carbinyl isobutyrate;Dimethyl(phenylethyl)carbinyl isobutyrate;Dimethylphenyl ethylcarbinyl isobutyrate;Dmpec 2-methylpropanoate;Dmpec isobutyrate;FEMA 2736;Isobutyric acid, 1,1-dimethyl-3-phenylpropyl ester;Phenylethyl dimethyl carbinyl isobutyrate
InChi InChI=1S/C15H22O2/c1-12(2)14(16)17-15(3,4)11-10-13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3
Formula C15H22O2 Molecular Weight 234.33
Cross Link

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



48715 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', 'CFAMM00540497'),None, txtsearch, CFAMM00540497|