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CHEBI:181776 - 4-acetyloxy-8-(3-oxo-2-pent-2-enylcyclopenten-1-yl)octanoic acid

ChEBI IDCHEBI:181776
ChEBI Name4-acetyloxy-8-(3-oxo-2-pent-2-enylcyclopenten-1-yl)octanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O5
Net Charge0
Average Mass350.455
Monoisotopic Mass350.20932
SMILESCCC=CCC1=C(CCCCC(CCC(=O)O)OC(C)=O)CCC1=O
InChIInChI=1S/C20H30O5/c1-3-4-5-10-18-16(11-13-19(18)22)8-6-7-9-17(25-15(2)21)12-14-20(23)24/h4-5,17H,3,6-14H2,1-2H3,(H,23,24)
InChIKeyQWDCJWDUPSTHHK-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
4-acetyloxy-8-(3-oxo-2-pent-2-enylcyclopenten-1-yl)octanoic acid (CHEBI:181776) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name 
4-acetyloxy-8-(3-oxo-2-pent-2-enylcyclopenten-1-yl)octanoic acid
Manual XrefsDatabases
95530971ChemSpider