Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-14 23:05:33 UTC
Update Date2022-08-31 06:23:55 UTC
Metabolite IDMMDBc0005518
Metabolite Identification
Common Name2-[1-oxo-2-cyclopenten-2-ylmethyl]-butanoic acid
DescriptionSCHEMBL17866738 belongs to the class of organic compounds known as branched fatty acids. These are fatty acids containing a branched chain. SCHEMBL17866738 is an extremely weak basic (essentially neutral) compound (based on its pKa).
Structure
SynonymsNot Available
Molecular FormulaC10H14O3
Average Mass182.219
Monoisotopic Mass182.094294311
IUPAC Name2-[(5-oxocyclopent-1-en-1-yl)methyl]butanoic acid
Traditional Name2-[(5-oxocyclopent-1-en-1-yl)methyl]butanoic acid
CAS Registry NumberNot Available
SMILES
CCC(CC1=CCCC1=O)C(O)=O
InChI Identifier
InChI=1S/C10H14O3/c1-2-7(10(12)13)6-8-4-3-5-9(8)11/h4,7H,2-3,5-6H2,1H3,(H,12,13)
InChI KeyAAFQBGIWLGZYHH-UHFFFAOYSA-N