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CHEBI:64264 - 3-isopropenyl-6-oxoheptanoic acid

ChEBI IDCHEBI:64264
ChEBI Name3-isopropenyl-6-oxoheptanoic acid
Stars
DefinitionA 6-oxo monocarboxylic acid that is heptanoic acid bearing isopropenyl and oxo substituents at positions 3 and 6 respectively.
Last Modified21 March 2012
SubmitterSteve
DownloadsMolfile
FormulaC10H16O3
Net Charge0
Average Mass184.235
Monoisotopic Mass184.10994
SMILESC=C(C)C(CCC(C)=O)CC(=O)O
InChIInChI=1S/C10H16O3/c1-7(2)9(6-10(12)13)5-4-8(3)11/h9H,1,4-6H2,2-3H3,(H,12,13)
InChIKeyNJOIWWRMLFSDTM-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)
3-isopropenyl-6-oxoheptanoic acid (CHEBI:64264) has functional parent heptanoic acid (CHEBI:45571)
3-isopropenyl-6-oxoheptanoic acid (CHEBI:64264) is a 6-oxo monocarboxylic acid (CHEBI:35960)
3-isopropenyl-6-oxoheptanoic acid (CHEBI:64264) is conjugate acid of 3-isopropenyl-6-oxoheptanoate (CHEBI:64234)
Incoming Relation(s)
(3R)-3-isopropenyl-6-oxoheptanoic acid (CHEBI:37287) is a 3-isopropenyl-6-oxoheptanoic acid (CHEBI:64264)
(3S)-3-isopropenyl-6-oxoheptanoic acid (CHEBI:37291) is a 3-isopropenyl-6-oxoheptanoic acid (CHEBI:64264)
3-isopropenyl-6-oxoheptanoate (CHEBI:64234) is conjugate base of 3-isopropenyl-6-oxoheptanoic acid (CHEBI:64264)
IUPAC Name 
6-oxo-3-(prop-1-en-2-yl)heptanoic acid
Synonym  Source
limononic acidChEBI
Manual XrefsDatabases
3-Isopropenyl-6-oxoheptanoatesMetaCyc
Citations