EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C18H33D3O2 |
| Net Charge | 0 |
| Average Mass | 287.502 |
| Monoisotopic Mass | 287.29036 |
| SMILES | [2H]C([2H])([2H])CCCCCCCCCCCCCCCCC(=O)O |
| InChI | InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)/i1D3 |
| InChIKey | QIQXTHQIDYTFRH-FIBGUPNXSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Malus domestica (ncbitaxon:3750) | exocarp (BTO:0000733) | MetaboLights (MTBLS2384) | Strain: Malus x domestica Borkh. cv. Ruixue |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Stearic acid(d3) (CHEBI:168383) is a deuterated fatty acid (CHEBI:75427) |
| Stearic acid(d3) (CHEBI:168383) is a long-chain fatty acid (CHEBI:15904) |
| IUPAC Name |
|---|
| 18,18,18-trideuteriooctadecanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 17341175 | ChemSpider |
| LMFA01010047 | LIPID MAPS |