Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-14 22:43:38 UTC
Update Date2022-08-31 06:23:11 UTC
Metabolite IDMMDBc0004926
Metabolite Identification
Common Name(1S,2S)-3-oxo-2-(2Z-pentenyl)cyclopentane-1-hexanoic acid methyl ester
Description(1S,2S)-3-oxo-2-(2Z-pentenyl)cyclopentane-1-hexanoic acid methyl ester belongs to the class of organic compounds known as prostaglandins and related compounds. These are unsaturated carboxylic acids consisting of a 20 carbon skeleton that also contains a five member ring, and are based upon the fatty acid arachidonic acid. Based on a literature review very few articles have been published on (1S,2S)-3-oxo-2-(2Z-pentenyl)cyclopentane-1-hexanoic acid methyl ester.
Structure
Synonyms
ValueSource
(1S,2S)-3-oxo-2-(2Z-Pentenyl)cyclopentane-1-hexanoate methyl esterGenerator
Molecular FormulaC17H28O3
Average Mass280.408
Monoisotopic Mass280.203844762
IUPAC Namemethyl 6-[(1S,2S)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl]hexanoate
Traditional Namemethyl 6-[(1S,2S)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl]hexanoate
CAS Registry NumberNot Available
SMILES
[H]\C(CC)=C(/[H])C[C@]1([H])C(=O)CC[C@]1([H])CCCCCC(=O)OC
InChI Identifier
InChI=1S/C17H28O3/c1-3-4-6-10-15-14(12-13-16(15)18)9-7-5-8-11-17(19)20-2/h4,6,14-15H,3,5,7-13H2,1-2H3/b6-4-/t14-,15-/m0/s1
InChI KeyJVVKRRUQASADLV-SNPDBEFISA-N