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| Formula | C40H74O5 |
| Net Charge | 0 |
| Average Mass | 635.027 |
| Monoisotopic Mass | 634.55363 |
| SMILES | CCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCCCCCC |
| InChI | InChI=1S/C40H74O5/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-40(43)45-38(36-41)37-44-39(42)34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h10,12,16,18,38,41H,3-9,11,13-15,17,19-37H2,1-2H3/b12-10-,18-16-/t38-/m0/s1 |
| InChIKey | WOCCJJHVTTYCRI-HLXMPKOOSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | |||
| liver (BTO:0000759) | MetaboLights (MTBLS1887) | ||
| serum (BTO:0000133) | MetaboLights (MTBLS1887) | ||
| heart (BTO:0000562) | MetaboLights (MTBLS1887) |
| 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(37:2) (CHEBI:189592) is a 1,2-diglyceride (CHEBI:49172) |
| IUPAC Name |
|---|
| [(2S)-1-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-3-hydroxypropan-2-yl] icosanoate |
| Manual Xrefs | Databases |
|---|---|
| LMGL02010066 | LIPID MAPS |
| 7822682 | ChemSpider |