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CHEBI:211 - (3S)-3-isopropenyl-6-oxoheptanoate

Default Structure
ChEBI IDCHEBI:211
ChEBI Name(3S)-3-isopropenyl-6-oxoheptanoate
Stars
ASCII Name(3S)-3-isopropenyl-6-oxoheptanoate
DefinitionAn optically active form of 3-isopropenyl-6-oxoheptanoate having (3S)-configuration.
Last Modified6 September 2017
DownloadsMolfile
FormulaC10H15O3
Net Charge-1
Average Mass183.227
Monoisotopic Mass183.10267
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)/p-1/t9-/m0/s1
InChIKeyNJOIWWRMLFSDTM-VIFPVBQESA-M
ChEBI Ontology
Outgoing Relation(s)
(3S)-3-isopropenyl-6-oxoheptanoate (CHEBI:211) has functional parent (4R,7S)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one (CHEBI:138363)
(3S)-3-isopropenyl-6-oxoheptanoate (CHEBI:211) has functional parent (4S,7R)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one (CHEBI:138362)
(3S)-3-isopropenyl-6-oxoheptanoate (CHEBI:211) is a 3-isopropenyl-6-oxoheptanoate (CHEBI:64234)
(3S)-3-isopropenyl-6-oxoheptanoate (CHEBI:211) is conjugate base of (3S)-3-isopropenyl-6-oxoheptanoic acid (CHEBI:37291)
(3S)-3-isopropenyl-6-oxoheptanoate (CHEBI:211) is enantiomer of (3R)-3-isopropenyl-6-oxoheptanoate (CHEBI:29001)
Incoming Relation(s)
(3S)-3-isopropenyl-6-oxoheptanoic acid (CHEBI:37291) is conjugate acid of (3S)-3-isopropenyl-6-oxoheptanoate (CHEBI:211)
(3R)-3-isopropenyl-6-oxoheptanoate (CHEBI:29001) is enantiomer of (3S)-3-isopropenyl-6-oxoheptanoate (CHEBI:211)
IUPAC Name 
(3S)-6-oxo-3-(prop-1-en-2-yl)heptanoate
Synonyms  Source
(3S)-4-methyl-3-(3-oxobutyl)pent-4-enoateChEBI
(3S)-3-Isopropenyl-6-oxoheptanoateKEGG COMPOUND
UniProt Name  Source
(3S)-3-isopropenyl-6-oxoheptanoateUniProt
Manual XrefsDatabases
C11419KEGG COMPOUND