EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C38H68O5 |
| Net Charge | 0 |
| Average Mass | 604.957 |
| Monoisotopic Mass | 604.50668 |
| SMILES | CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCC |
| InChI | InChI=1S/C38H68O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-38(41)43-36(34-39)35-42-37(40)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h17-18,20-21,25,27,36,39H,3-16,19,22-24,26,28-35H2,1-2H3/b18-17-,21-20-,27-25-/t36-/m0/s1 |
| InChIKey | WTCOHNVDJSHMGH-UCGLMYNGSA-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(15:0/20:3(5Z,8Z,11Z)/0:0) (CHEBI:173238) is a 1,2-diglyceride (CHEBI:49172) |
| IUPAC Name |
|---|
| [(2S)-1-hydroxy-3-pentadecanoyloxypropan-2-yl] (5Z,8Z,11Z)-icosa-5,8,11-trienoate |
| Manual Xrefs | Databases |
|---|---|
| 24765914 | ChemSpider |
| HMDB0007081 | HMDB |