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CHEBI:37287 - (3R)-3-isopropenyl-6-oxoheptanoic acid

ChEBI IDCHEBI:37287
ChEBI Name(3R)-3-isopropenyl-6-oxoheptanoic acid
Stars
ASCII Name(3R)-3-isopropenyl-6-oxoheptanoic acid
DefinitionAn optically active form of 3-isopropenyl-6-oxoheptanoic acid having (3R)-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-/m1/s1
InChIKeyNJOIWWRMLFSDTM-SECBINFHSA-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)
(3R)-3-isopropenyl-6-oxoheptanoic acid (CHEBI:37287) has functional parent (4R)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one (CHEBI:82204)
(3R)-3-isopropenyl-6-oxoheptanoic acid (CHEBI:37287) is a 3-isopropenyl-6-oxoheptanoic acid (CHEBI:64264)
(3R)-3-isopropenyl-6-oxoheptanoic acid (CHEBI:37287) is conjugate acid of (3R)-3-isopropenyl-6-oxoheptanoate (CHEBI:29001)
(3R)-3-isopropenyl-6-oxoheptanoic acid (CHEBI:37287) is enantiomer of (3S)-3-isopropenyl-6-oxoheptanoic acid (CHEBI:37291)
Incoming Relation(s)
(3R)-3-isopropenyl-6-oxoheptanoyl-CoA (CHEBI:29004) has functional parent (3R)-3-isopropenyl-6-oxoheptanoic acid (CHEBI:37287)
(3R)-3-isopropenyl-6-oxoheptanoate (CHEBI:29001) is conjugate base of (3R)-3-isopropenyl-6-oxoheptanoic acid (CHEBI:37287)
(3S)-3-isopropenyl-6-oxoheptanoic acid (CHEBI:37291) is enantiomer of (3R)-3-isopropenyl-6-oxoheptanoic acid (CHEBI:37287)
IUPAC Name 
(3R)-6-oxo-3-(prop-1-en-2-yl)heptanoic acid
Synonyms  Source
(3R)-4-methyl-3-(3-oxobutyl)pent-4-enoic acidChEBI
(3R)-3-Isopropenyl-6-oxoheptanoic acidKEGG COMPOUND
Manual XrefsDatabases
C11405KEGG COMPOUND
Registry NumbersSources
Reaxys:1725660Reaxys