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| Formula | C38H72O5 |
| Net Charge | 0 |
| Average Mass | 608.989 |
| Monoisotopic Mass | 608.53798 |
| SMILES | CCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCCCCCC |
| InChI | InChI=1S/C38H72O5/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/h12,14,36,39H,3-11,13,15-35H2,1-2H3/b14-12-/t36-/m0/s1 |
| InChIKey | QBSMZICHCUBGAS-JVRLFSLESA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | feces (BTO:0000440) | MetaboLights (MTBLS3750) | Strain: C57BL/6 Mouse [NCIT:C14424] |
| 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(15:1(9Z)/20:0/0:0)[iso2] (CHEBI:186940) is a 1,2-diglyceride (CHEBI:49172) |
| IUPAC Name |
|---|
| [(2S)-1-hydroxy-3-[(Z)-pentadec-9-enoyl]oxypropan-2-yl] icosanoate |
| Manual Xrefs | Databases |
|---|---|
| 107450838 | ChemSpider |
| LMGL02010460 | LIPID MAPS |