EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:25459 - myrtenic acid
| Formula | C10H14O2 |
| Net Charge | 0 |
| Average Mass | 166.220 |
| Monoisotopic Mass | 166.09938 |
| SMILES | CC1(C)C2CC=C(C(=O)O)C1C2 |
| 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 |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Carthamus tinctorius (ncbitaxon:4222) | flower (BTO:0000469) | PubMed (29575869) | |
| Conradina canescens (ncbitaxon:326153) | aerial part (BTO:0001658) | PubMed (26996011) | |
| Homo sapiens (ncbitaxon:9606) | - | PubMed (26679931) | Detected in urine. |
| Hyssopus officinalis (ncbitaxon:39324) | - | Article (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.) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 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 bridged compound (CHEBI:35990) |
| myrtenic acid (CHEBI:25459) is a monoterpenoid (CHEBI:25409) |
| myrtenic acid (CHEBI:25459) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020) |
| IUPAC Name |
|---|
| 6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-carboxylic acid |
| Synonyms | Source |
|---|---|
| myrtenic acid | KEGG COMPOUND |
| myrtenoic acid | NIST Chemistry WebBook |
| Manual Xrefs | Databases |
|---|---|
| c0633 | UM-BBD |
| C11940 | KEGG COMPOUND |
| LMPR0102120024 | LIPID MAPS |
| Registry Numbers | Sources |
|---|---|
| CAS:19250-17-0 | ChemIDplus |
| CAS:19250-17-0 | NIST Chemistry WebBook |
| CAS:19250-17-0 | KEGG COMPOUND |
| Citations |
|---|