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CHEBI:144575 - (S)-citronellic acid

ChEBI IDCHEBI:144575
ChEBI Name(S)-citronellic acid
Stars
ASCII Name(S)-citronellic acid
DefinitionA citronellic acid that has (S)-configuration.
Last Modified19 August 2019
SubmitterAdnan
DownloadsMolfile
FormulaC10H18O2
Net Charge0
Average Mass170.252
Monoisotopic Mass170.13068
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)/t9-/m0/s1
InChIKeyGJWSUKYXUMVMGX-VIFPVBQESA-N
Roles Classification
Chemical Roles:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
flavouring agent  A food additive that is used to added improve the taste or odour of a food.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application:
flavouring agent  A food additive that is used to added improve the taste or odour of a food.
ChEBI Ontology
Outgoing Relation(s)
(S)-citronellic acid (CHEBI:144575) is a citronellic acid (CHEBI:80507)
(S)-citronellic acid (CHEBI:144575) is conjugate acid of (S)-citronellate (CHEBI:143914)
(S)-citronellic acid (CHEBI:144575) is enantiomer of (R)-citronellic acid (CHEBI:144576)
Incoming Relation(s)
(S)-citronellate (CHEBI:143914) is conjugate base of (S)-citronellic acid (CHEBI:144575)
(R)-citronellic acid (CHEBI:144576) is enantiomer of (S)-citronellic acid (CHEBI:144575)
IUPAC Name 
(3S)-3,7-dimethyloct-6-enoic acid
Synonyms  Source
(S)-(−)-3,7-dimethyl-6-octenoic acidChEBI
(3S)-3,7-dimethyl-6-octenoic acidChEBI
(S)-(−)-citronellic acidChEBI
(−)-citronellic acidChEBI
(S)-3,7-dimethyl-6-octenoic acidKNApSAcK
Manual XrefsDatabases
C00010311KNApSAcK
Registry NumbersSources
CAS:2111-53-7KNApSAcK
Citations