CHEBI:29001 - (3R)-3-isopropenyl-6-oxoheptanoate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (3R)-3-isopropenyl-6-oxoheptanoate
ChEBI ID CHEBI:29001
ChEBI ASCII Name (3R)-3-isopropenyl-6-oxoheptanoate
Definition An optically active form of 3-isopropenyl-6-oxoheptanoate having (3R)-configuration.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:18560, CHEBI:202
Supplier Information
Download Molfile XML SDF
Formula C10H15O3
Net Charge -1
Average Mass 183.22430
Monoisotopic Mass 183.10267
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)/p-1/t9-/m1/s1
InChIKey NJOIWWRMLFSDTM-SECBINFHSA-M
SMILES CC(=C)[C@H](CCC(C)=O)CC([O-])=O
ChEBI Ontology
Outgoing (3R)-3-isopropenyl-6-oxoheptanoate (CHEBI:29001) is a 3-isopropenyl-6-oxoheptanoate (CHEBI:64234)
(3R)-3-isopropenyl-6-oxoheptanoate (CHEBI:29001) is conjugate base of (3R)-3-isopropenyl-6-oxoheptanoic acid (CHEBI:37287)
(3R)-3-isopropenyl-6-oxoheptanoate (CHEBI:29001) is enantiomer of (3S)-3-isopropenyl-6-oxoheptanoate (CHEBI:211)
Incoming (3R)-3-isopropenyl-6-oxoheptanoic acid (CHEBI:37287) is conjugate acid of (3R)-3-isopropenyl-6-oxoheptanoate (CHEBI:29001)
(3S)-3-isopropenyl-6-oxoheptanoate (CHEBI:211) is enantiomer of (3R)-3-isopropenyl-6-oxoheptanoate (CHEBI:29001)
IUPAC Name
(3R)-6-oxo-3-(prop-1-en-2-yl)heptanoate
Synonyms Sources
(3R)-3-Isopropenyl-6-oxoheptanoate KEGG COMPOUND
(3R)-3-isopropenyl-6-oxoheptanoate UniProt
(3R)-4-methyl-3-(3-oxobutyl)pent-4-enoate ChEBI
Manual Xrefs Databases
c0676 UM-BBD
C11405 KEGG COMPOUND
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Last Modified
05 September 2017