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
Download Molfile XML SDF
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 (Bronsted 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 Waiting for 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