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> Main
CHEBI:80507 - citronellic acid
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ChEBI Ontology
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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.
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Formula
C10H18O2
Net Charge
0
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 (Br
o
nsted 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.
View more via ChEBI Ontology
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
Synonyms
Sources
3,7-dimethyl-6-octenoic acid
KEGG COMPOUND
citronellic acid
KEGG COMPOUND
rhodinic acid
ChEBI
rhodinolic acid
ChemIDplus
Manual Xrefs
Databases
C16462
KEGG COMPOUND
FDB014607
FooDB
HMDB0035837
HMDB
View more database links
Registry Numbers
Types
Sources
1422774
Reaxys Registry Number
Reaxys
502-47-6
CAS Registry Number
ChemIDplus
502-47-6
CAS Registry Number
NIST Chemistry WebBook
Citations
Types
Sources
18605213
PubMed citation
Europe PMC
20429462
PubMed citation
Europe PMC
20568624
PubMed citation
Europe PMC
2265211
PubMed citation
Europe PMC
29393872
PubMed citation
Europe PMC
30790714
PubMed citation
Europe PMC
Last Modified
19 August 2019