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CHEBI:37291 - (3S)-3-isopropenyl-6-oxoheptanoic acid

ChEBI IDCHEBI:37291
ChEBI Name(3S)-3-isopropenyl-6-oxoheptanoic acid
Stars
ASCII Name(3S)-3-isopropenyl-6-oxoheptanoic acid
DefinitionAn optically active form of 3-isopropenyl-6-oxoheptanoic acid having (3S)-configuration.
Last Modified5 September 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC10H16O3
Net Charge0
Average Mass184.235
Monoisotopic Mass184.10994
SMILESC=C(C)[C@@H](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)/t9-/m0/s1
InChIKeyNJOIWWRMLFSDTM-VIFPVBQESA-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)
(3S)-3-isopropenyl-6-oxoheptanoic acid (CHEBI:37291) has functional parent (4S)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one (CHEBI:82207)
(3S)-3-isopropenyl-6-oxoheptanoic acid (CHEBI:37291) is a 3-isopropenyl-6-oxoheptanoic acid (CHEBI:64264)
(3S)-3-isopropenyl-6-oxoheptanoic acid (CHEBI:37291) is conjugate acid of (3S)-3-isopropenyl-6-oxoheptanoate (CHEBI:211)
(3S)-3-isopropenyl-6-oxoheptanoic acid (CHEBI:37291) is enantiomer of (3R)-3-isopropenyl-6-oxoheptanoic acid (CHEBI:37287)
Incoming Relation(s)
(3S)-3-isopropenyl-6-oxoheptanoyl-CoA (CHEBI:212) has functional parent (3S)-3-isopropenyl-6-oxoheptanoic acid (CHEBI:37291)
(3S)-3-isopropenyl-6-oxoheptanoate (CHEBI:211) is conjugate base of (3S)-3-isopropenyl-6-oxoheptanoic acid (CHEBI:37291)
(3R)-3-isopropenyl-6-oxoheptanoic acid (CHEBI:37287) is enantiomer of (3S)-3-isopropenyl-6-oxoheptanoic acid (CHEBI:37291)
IUPAC Name 
(3S)-6-oxo-3-(prop-1-en-2-yl)heptanoic acid
Synonyms  Source
(3S)-4-methyl-3-(3-oxobutyl)pent-4-enoic acidChEBI
(3S)-3-Isopropenyl-6-oxoheptanoic acidKEGG COMPOUND
Manual XrefsDatabases
C11419KEGG COMPOUND
Registry NumbersSources
Beilstein:7805390Beilstein