Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 02:17:23 UTC
Update Date2022-08-31 06:30:55 UTC
Metabolite IDMMDBc0009922
Metabolite Identification
Common Name(1S,2R)-3-oxo-2-(2Z-pentenyl)cyclopentane-1-butyric acid methyl ester
Description(1S,2R)-3-oxo-2-(2Z-pentenyl)cyclopentane-1-butyric acid methyl ester belongs to the class of organic compounds known as fatty acid methyl esters. Fatty acid methyl esters are compounds containing a fatty acid that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=fatty aliphatic tail or organyl group and R'=methyl group. Based on a literature review very few articles have been published on (1S,2R)-3-oxo-2-(2Z-pentenyl)cyclopentane-1-butyric acid methyl ester.
Structure
Synonyms
ValueSource
(1S,2R)-3-oxo-2-(2Z-Pentenyl)cyclopentane-1-butyrate methyl esterGenerator
Molecular FormulaC15H24O3
Average Mass252.354
Monoisotopic Mass252.172544633
IUPAC Namemethyl 4-[(1S,2R)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl]butanoate
Traditional Namemethyl 4-[(1S,2R)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl]butanoate
CAS Registry NumberNot Available
SMILES
[H]\C(CC)=C(/[H])C[C@@]1([H])C(=O)CC[C@]1([H])CCCC(=O)OC
InChI Identifier
InChI=1S/C15H24O3/c1-3-4-5-8-13-12(10-11-14(13)16)7-6-9-15(17)18-2/h4-5,12-13H,3,6-11H2,1-2H3/b5-4-/t12-,13+/m0/s1
InChI KeyNFKJKGVJZFWDKI-OEFFGFFESA-N