(S)-citronellic acid (CHEBI:144575)

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ChEBI Name	(S)-citronellic acid

ChEBI ID	CHEBI:144575

ChEBI ASCII Name	(S)-citronellic acid

Definition	A citronellic acid that has (S)-configuration.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C10H18O2

Net Charge

Average Mass

170.252

Monoisotopic Mass

170.13068

InChI

InChI=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

InChIKey

GJWSUKYXUMVMGX-VIFPVBQESA-N

SMILES

[C@H](CCC=C(C)C)(CC(O)=O)C

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Biological Role(s):	plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. (via citronellic acid ) flavouring agent A food additive that is used to added improve the taste or odour of a food. (via citronellic acid )

Application(s):	flavouring agent A food additive that is used to added improve the taste or odour of a food. (via citronellic acid )

ChEBI Ontology
Outgoing	(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	(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

Registry Number	Type	Source
2111-53-7	CAS Registry Number	KNApSAcK

Citation	Type	Source
24130034	PubMed citation	Europe PMC

Last Modified

19 August 2019