EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H40O5 |
| Net Charge | 0 |
| Average Mass | 372.546 |
| Monoisotopic Mass | 372.28757 |
| SMILES | CCCCCCCCCC(=O)OC[C@H](O)COC(=O)CCCCCCC |
| InChI | InChI=1S/C21H40O5/c1-3-5-7-9-10-12-14-16-21(24)26-18-19(22)17-25-20(23)15-13-11-8-6-4-2/h19,22H,3-18H2,1-2H3/t19-/m1/s1 |
| InChIKey | AMRVOUCEFGMNBS-LJQANCHMSA-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 |
|---|
| Biological Roles: | Saccharomyces cerevisiae metabolite Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ). human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| DG(8:0/0:0/10:0) (CHEBI:169805) is a 1,3-diglyceride (CHEBI:47777) |
| IUPAC Name |
|---|
| [(2R)-2-hydroxy-3-octanoyloxypropyl] decanoate |
| Manual Xrefs | Databases |
|---|---|
| HMDB0092960 | HMDB |
| 34990996 | ChemSpider |