Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 05:16:55 UTC
Update Date2022-08-31 06:37:19 UTC
Metabolite IDMMDBc0014159
Metabolite Identification
Common Name(1S,2R)-3-oxo-2-pentylcyclopentane-1-octanoic acid
Description(1S,2R)-3-Oxo-2-pentylcyclopentane-1-octanoic acid 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 a significant number of articles have been published on (1S,2R)-3-Oxo-2-pentylcyclopentane-1-octanoic acid.
Structure
Synonyms
ValueSource
(1S,2R)-3-oxo-2-Pentylcyclopentane-1-octanoateGenerator
Molecular FormulaC18H32O3
Average Mass296.451
Monoisotopic Mass296.23514489
IUPAC Name8-[(1S,2R)-3-oxo-2-pentylcyclopentyl]octanoic acid
Traditional Name8-[(1S,2R)-3-oxo-2-pentylcyclopentyl]octanoic acid
CAS Registry NumberNot Available
SMILES
[H][C@]1(CCCCCCCC(O)=O)CCC(=O)[C@]1([H])CCCCC
InChI Identifier
InChI=1S/C18H32O3/c1-2-3-7-11-16-15(13-14-17(16)19)10-8-5-4-6-9-12-18(20)21/h15-16H,2-14H2,1H3,(H,20,21)/t15-,16+/m0/s1
InChI KeyITXGIRZCCUTEJX-JKSUJKDBSA-N