citronellic acid (CHEBI:80507)

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ChEBI Name	citronellic acid

ChEBI ID	CHEBI:80507

Definition	A monounsaturated fatty acid that is oct-6-enoic acid carrying methyl groups at positions 3 and 7.

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)

InChIKey

GJWSUKYXUMVMGX-UHFFFAOYSA-N

SMILES

C(CCC=C(C)C)(CC(O)=O)C

Metabolite of Species	Details
Citrus limon (NCBI:txid2708)	See: PubMed

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. flavouring agent A food additive that is used to added improve the taste or odour of a food.

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

ChEBI Ontology
Outgoing	citronellic acid (CHEBI:80507) has functional parent citronellal (CHEBI:47856) citronellic acid (CHEBI:80507) has role flavouring agent (CHEBI:35617) citronellic acid (CHEBI:80507) has role plant metabolite (CHEBI:76924) citronellic acid (CHEBI:80507) is a medium-chain fatty acid (CHEBI:59554) citronellic acid (CHEBI:80507) is a monoterpenoid (CHEBI:25409) citronellic acid (CHEBI:80507) is a monounsaturated fatty acid (CHEBI:25413)

Incoming	(R)-citronellic acid (CHEBI:144576) is a citronellic acid (CHEBI:80507) (S)-citronellic acid (CHEBI:144575) is a citronellic acid (CHEBI:80507)

IUPAC Name

3,7-dimethyloct-6-enoic acid

Last Modified

19 August 2019