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

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ChEBI Name (3R)-3-isopropenyl-6-oxoheptanoic acid
ChEBI ID CHEBI:37287
ChEBI ASCII Name (3R)-3-isopropenyl-6-oxoheptanoic acid
Definition An optically active form of 3-isopropenyl-6-oxoheptanoic acid having (3R)-configuration.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C10H16O3
Net Charge 0
Average Mass 184.23220
Monoisotopic Mass 184.10994
InChI InChI=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
InChIKey NJOIWWRMLFSDTM-SECBINFHSA-N
SMILES CC(=C)[C@H](CCC(C)=O)CC(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (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 (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 Sources
(3R)-3-Isopropenyl-6-oxoheptanoic acid KEGG COMPOUND
(3R)-4-methyl-3-(3-oxobutyl)pent-4-enoic acid ChEBI
Manual Xref Database
C11405 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
1725660 Beilstein Registry Number Beilstein
1725660 Reaxys Registry Number Reaxys
Last Modified
05 September 2017