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CHEBI:143914 - (S)-citronellate

ChEBI IDCHEBI:143914
ChEBI Name(S)-citronellate
Stars
ASCII Name(S)-citronellate
DefinitionA monounsaturated fatty acid anion that is the conjugate base of (S)-citronellic acid, arising from the deprotonation of the carboxy group.
Last Modified19 August 2019
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC10H17O2
Net Charge-1
Average Mass169.244
Monoisotopic Mass169.12340
SMILESCC(C)=CCC[C@H](C)CC(=O)[O-]
InChIInChI=1S/C10H18O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,9H,4,6-7H2,1-3H3,(H,11,12)/p-1/t9-/m0/s1
InChIKeyGJWSUKYXUMVMGX-VIFPVBQESA-M
ChEBI Ontology
Outgoing Relation(s)
(S)-citronellate (CHEBI:143914) is a medium-chain fatty acid anion (CHEBI:59558)
(S)-citronellate (CHEBI:143914) is a monounsaturated fatty acid anion (CHEBI:82680)
(S)-citronellate (CHEBI:143914) is conjugate base of (S)-citronellic acid (CHEBI:144575)
Incoming Relation(s)
(S)-citronellic acid (CHEBI:144575) is conjugate acid of (S)-citronellate (CHEBI:143914)
IUPAC Name 
(3S)-3,7-dimethyloct-6-enoate
Synonyms  Source
(3S)-3,7-dimethyl-6-octenoateChEBI
(S)-3,7-dimethyl-6-octenoateChEBI
UniProt Name  Source
(S)-(−)-citronellateUniProt
Manual XrefsDatabases
CPD-12894MetaCyc