EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:27939 - chaulmoogric acid
| Formula | C18H32O2 |
| Net Charge | 0 |
| Average Mass | 280.452 |
| Monoisotopic Mass | 280.24023 |
| SMILES | O=C(O)CCCCCCCCCCCCC1C=CCC1 |
| InChI | InChI=1S/C18H32O2/c19-18(20)16-10-8-6-4-2-1-3-5-7-9-13-17-14-11-12-15-17/h11,14,17H,1-10,12-13,15-16H2,(H,19,20) |
| InChIKey | XMVQWNRDPAAMJB-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Centella asiatica (ncbitaxon:48106) | - | MetaboLights (MTBLS175) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| chaulmoogric acid (CHEBI:27939) has role plant metabolite (CHEBI:76924) |
| chaulmoogric acid (CHEBI:27939) is a cyclopentenyl fatty acid (CHEBI:23497) |
| chaulmoogric acid (CHEBI:27939) is a long-chain fatty acid (CHEBI:15904) |
| chaulmoogric acid (CHEBI:27939) is a monounsaturated fatty acid (CHEBI:25413) |
| Incoming Relation(s) |
| (R)-chaulmoogric acid (CHEBI:61389) is a chaulmoogric acid (CHEBI:27939) |
| (S)-chaulmoogric acid (CHEBI:61391) is a chaulmoogric acid (CHEBI:27939) |
| IUPAC Name |
|---|
| 13-cyclopent-2-en-1-yltridecanoic acid |
| Synonyms | Source |
|---|---|
| (S)-2-Cyclopentene-1-tridecanoic acid | ChemIDplus |
| 13-(Cyclopent-2-enyl)tridecanoic acid | ChemIDplus |
| 2-Cyclopentene-1-tridecanoic acid | ChemIDplus |
| hydnocarpylacetic acid | ChEBI |
| ácido chaulmógrico | ChEBI |
| Chaulmoogrylsäure | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| C08282 | KEGG COMPOUND |
| Registry Numbers | Sources |
|---|---|
| Reaxys:1972981 | Reaxys |
| CAS:29106-32-9 | ChemIDplus |
| CAS:29106-32-9 | NIST Chemistry WebBook |
| Citations |
|---|