EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C57H100O6 |
| Net Charge | 0 |
| Average Mass | 881.421 |
| Monoisotopic Mass | 880.75199 |
| SMILES | CCCC/C=C\CCCCCCCC(=O)OC(COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC |
| InChI | InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-20,24-27,54H,4-14,21-23,28-53H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,27-25- |
| InChIKey | JOUMXYIISHXANV-RWBIAYFFSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| HeLa cell (BTO:0000567) | MetaboLights (MTBLS78) | ||
| Hepa-RG cell (BTO:0005736) | MetaboLights (MTBLS78) | ||
| NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| HeLa cell;NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| Mus musculus (ncbitaxon:10090) | Hepa-RG cell (BTO:0005736) | MetaboLights (MTBLS78) | Strain: C57BL/6J [EFO:0000606] |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| TG(20:2n6/14:1(9Z)/20:2n6) (CHEBI:170789) is a triglyceride (CHEBI:17855) |
| IUPAC Name |
|---|
| [3-[(11Z,14Z)-icosa-11,14-dienoyl]oxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] (11Z,14Z)-icosa-11,14-dienoate |
| Manual Xrefs | Databases |
|---|---|
| HMDB0053355 | HMDB |
| 59693792 | ChemSpider |