EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C42H80O5 |
| Net Charge | 0 |
| Average Mass | 665.097 |
| Monoisotopic Mass | 664.60058 |
| SMILES | CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCC |
| InChI | InChI=1S/C42H80O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-42(45)47-40(38-43)39-46-41(44)36-34-32-30-28-26-16-14-12-10-8-6-4-2/h17-18,40,43H,3-16,19-39H2,1-2H3/b18-17-/t40-/m0/s1 |
| InChIKey | SHYXNKCINZKAKS-JCEJMGBYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | blood plasma (BTO:0000131) | MetaboLights (MTBLS2633) |
| Roles Classification |
|---|
| Biological Roles: | human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). Saccharomyces cerevisiae metabolite Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| DG(15:0/24:1(15Z)/0:0) (CHEBI:172792) is a 1,2-diglyceride (CHEBI:49172) |
| IUPAC Name |
|---|
| [(2S)-1-hydroxy-3-pentadecanoyloxypropan-2-yl] (Z)-tetracos-15-enoate |
| Manual Xrefs | Databases |
|---|---|
| 24765927 | ChemSpider |
| HMDB0007094 | HMDB |