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> Main
CHEBI:25459 - myrtenic acid
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ChEBI Name
myrtenic acid
ChEBI ID
CHEBI:25459
Definition
A monoterpenoid that is 6,6-dimethylbicyclo[3.1.1]hept-2-ene substituted by a carboxy group at position 2.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:29635
Supplier Information
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Formula
C10H14O2
Net Charge
0
Average Mass
166.220
Monoisotopic Mass
166.09938
InChI
InChI=1S/C10H14O2/c1-10(2)6-3-4-7(9(11)12)8(10)5-6/h4,6,8H,3,5H2,1-2H3,(H,11,12)
InChIKey
XPHVDOXZJRTIMV-UHFFFAOYSA-N
SMILES
C12CC(C1(C)C)CC=C2C(O)=O
Metabolite of Species
Details
Conradina canescens
(NCBI:txid326153)
Found in aerial part
(BTO:0001658)
. See:
PubMed
Hyssopus officinalis
(NCBI:txid39324)
See: Book: Khan, I.A and Abourashed, E.A. (2011) Leung’s Encyclopedia of Common Natural Ingredients: Used in Food, Drugs, and Cosmetics, 3rd Ed. John Wiley & Sons, New York.
Carthamus tinctorius
(NCBI:txid4222)
Found in flower
(BTO:0000469)
. See:
PubMed
Homo sapiens
(NCBI:txid9606)
Detected in urine. 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):
human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
human urinary metabolite
Any metabolite (endogenous or exogenous) found in human urine samples.
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
myrtenic acid (
CHEBI:25459
)
has functional parent
α-pinene (
CHEBI:36740
)
myrtenic acid (
CHEBI:25459
)
has role
human urinary metabolite (
CHEBI:84087
)
myrtenic acid (
CHEBI:25459
)
has role
human xenobiotic metabolite (
CHEBI:76967
)
myrtenic acid (
CHEBI:25459
)
has role
plant metabolite (
CHEBI:76924
)
myrtenic acid (
CHEBI:25459
)
is a
α,β-unsaturated monocarboxylic acid (
CHEBI:79020
)
myrtenic acid (
CHEBI:25459
)
is a
bridged compound (
CHEBI:35990
)
myrtenic acid (
CHEBI:25459
)
is a
monoterpenoid (
CHEBI:25409
)
IUPAC Name
6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-carboxylic acid
Synonyms
Sources
myrtenic acid
KEGG COMPOUND
myrtenoic acid
NIST Chemistry WebBook
Manual Xrefs
Databases
c0633
UM-BBD
C11940
KEGG COMPOUND
LMPR0102120024
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
19250-17-0
CAS Registry Number
KEGG COMPOUND
19250-17-0
CAS Registry Number
ChemIDplus
19250-17-0
CAS Registry Number
NIST Chemistry WebBook
Citations
Types
Sources
26679931
PubMed citation
Europe PMC
26996011
PubMed citation
Europe PMC
29575869
PubMed citation
Europe PMC
7385912
PubMed citation
Europe PMC
Last Modified
25 July 2019