EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:144481 - (S)-8-oxocitronellyl enol

ChEBI IDCHEBI:144481
ChEBI Name(S)-8-oxocitronellyl enol
Stars
ASCII Name(S)-8-oxocitronellyl enol
DefinitionAn 8-oxocitronellyl enol in which the chiral centre has S configuration.
Last Modified23 September 2019
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC10H16O2
Net Charge0
Average Mass168.236
Monoisotopic Mass168.11503
SMILESC/C(C=O)=C\CC[C@H](C)/C=C/O
InChIInChI=1S/C10H16O2/c1-9(6-7-11)4-3-5-10(2)8-12/h5-9,11H,3-4H2,1-2H3/b7-6+,10-5+/t9-/m0/s1
InChIKeyCUVKIWGKVWHEEO-BVRNBXKUSA-N
ChEBI Ontology
Outgoing Relation(s)
(S)-8-oxocitronellyl enol (CHEBI:144481) is a 8-oxocitronellyl enol (CHEBI:144930)
(S)-8-oxocitronellyl enol (CHEBI:144481) is enantiomer of (R)-8-oxocitronellyl enol (CHEBI:144487)
Incoming Relation(s)
(R)-8-oxocitronellyl enol (CHEBI:144487) is enantiomer of (S)-8-oxocitronellyl enol (CHEBI:144481)
IUPAC Name 
(2E,6S,7E)-8-hydroxy-2,6-dimethylocta-2,7-dienal
UniProt Name  Source
(S)-8-oxocitronellyl enolUniProt
Manual XrefsDatabases
CPD-22362MetaCyc
Citations