CFam Chemical Families Database
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You are searching for "CFAMM00035439" in compound.

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CFAM Mol ID CFAMM00035439
Family CFFAD194 Alpha-2 adrenergic receptor ligand opiate Meperidine Family
Superfamily CFSAD180 opioid receptor, adrenergic receptor ligand opiate Acetylmethadol Meperidine Superfamily
Class CFCAD174 Class 174
External ID HMDB35008 External Source HMDB
PubChem CID 7600 Functional Category Human Metabolite
Molecule Name 3-Methylbutyl phenylacetate
IUPAC Name 3-methylbutyl 2-phenylacetate
Synonyms 3-Methylbutyl benzeneacetate;3-Methylbutyl phenylacetate;Acetic acid, phenyl-, isopentyl ester;Benzeneacetic acid, 3-methylbutyl ester;FEMA 2081;Isoamyl alpha-toluate;Isoamyl phenylacetate;Isopentyl alcohol, phenylacetate;Isopentyl phenylacetate;Isopentylphenylacetate;Phenylacetic acid isoamyl ester;Phenylacetic acid, 3-methylbutyl ester;Phenylacetic acid, isopentyl ester
InChi InChI=1S/C13H18O2/c1-11(2)8-9-15-13(14)10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3
InChiKey QWBQBUWZZBUFHN-UHFFFAOYSA-N
Formula C13H18O2 Molecular Weight 206.28
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
 

 

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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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