EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C57H106O6 |
| Net Charge | 0 |
| Average Mass | 887.469 |
| Monoisotopic Mass | 886.79894 |
| SMILES | CCCCCCCC/C=C\CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCCCCCCCC |
| InChI | InChI=1S/C57H106O6/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/h24-27,54H,4-23,28-53H2,1-3H3/b26-24-,27-25- |
| InChIKey | CKGQVHZBCHFFFP-DSOYXUETSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | Hepa-RG cell (BTO:0005736) | MetaboLights (MTBLS78) | Strain: C57BL/6J [EFO:0000606] |
| Homo sapiens (ncbitaxon:9606) | |||
| Hepa-RG cell (BTO:0005736) | MetaboLights (MTBLS78) | ||
| HeLa cell (BTO:0000567) | MetaboLights (MTBLS78) | ||
| NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| HeLa cell;NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| TG(20:1(11Z)/14:0/20:1(11Z)) (CHEBI:170945) is a triglyceride (CHEBI:17855) |
| IUPAC Name |
|---|
| [3-[(Z)-icos-11-enoyl]oxy-2-tetradecanoyloxypropyl] (Z)-icos-11-enoate |
| Manual Xrefs | Databases |
|---|---|
| 30777955 | ChemSpider |
| HMDB0050300 | HMDB |