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CHEBI:64234 - 3-isopropenyl-6-oxoheptanoate

ChEBI IDCHEBI:64234
ChEBI Name3-isopropenyl-6-oxoheptanoate
Stars
DefinitionA 6-oxo monocarboxylic acid anion that is the conjugate base of 3-isopropenyl-6-oxoheptanoic acid; major species at pH 7.3.
Last Modified22 October 2012
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC10H15O3
Net Charge-1
Average Mass183.227
Monoisotopic Mass183.10267
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)/p-1
InChIKeyNJOIWWRMLFSDTM-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
3-isopropenyl-6-oxoheptanoate (CHEBI:64234) has functional parent heptanoate (CHEBI:32362)
3-isopropenyl-6-oxoheptanoate (CHEBI:64234) is a 6-oxo monocarboxylic acid anion (CHEBI:35976)
3-isopropenyl-6-oxoheptanoate (CHEBI:64234) is conjugate base of 3-isopropenyl-6-oxoheptanoic acid (CHEBI:64264)
Incoming Relation(s)
(3R)-3-isopropenyl-6-oxoheptanoate (CHEBI:29001) is a 3-isopropenyl-6-oxoheptanoate (CHEBI:64234)
(3S)-3-isopropenyl-6-oxoheptanoate (CHEBI:211) is a 3-isopropenyl-6-oxoheptanoate (CHEBI:64234)
3-isopropenyl-6-oxoheptanoic acid (CHEBI:64264) is conjugate acid of 3-isopropenyl-6-oxoheptanoate (CHEBI:64234)
IUPAC Name 
6-oxo-3-(prop-1-en-2-yl)heptanoate
UniProt Name  Source
3-isopropenyl-6-oxoheptanoateUniProt
Manual XrefsDatabases
3-Isopropenyl-6-oxoheptanoatesMetaCyc
Registry NumbersSources
Reaxys:1779428Reaxys
Citations