EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C55H104O6 |
| Net Charge | 0 |
| Average Mass | 861.431 |
| Monoisotopic Mass | 860.78329 |
| SMILES | CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC |
| InChI | InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-23-20-17-14-11-8-5-2)51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3/h25-26,52H,4-24,27-51H2,1-3H3/b26-25- |
| InChIKey | MVBQFGCTCWSIBF-QPLCGJKRSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| HeLa cell (BTO:0000567) | MetaboLights (MTBLS78) | ||
| NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| HeLa cell;NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| Hepa-RG cell (BTO:0005736) | MetaboLights (MTBLS78) | ||
| Mus musculus (ncbitaxon:10090) | Hepa-RG cell (BTO:0005736) | MetaboLights (MTBLS78) | Strain: C57BL/6J [EFO:0000606] |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| TG(15:0/22:1(13Z)/15:0) (CHEBI:171557) is a triglyceride (CHEBI:17855) |
| IUPAC Name |
|---|
| 1,3-di(pentadecanoyloxy)propan-2-yl (Z)-docos-13-enoate |
| Manual Xrefs | Databases |
|---|---|
| 30777694 | ChemSpider |
| HMDB0043337 | HMDB |