EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C57H102O6 |
| Net Charge | 0 |
| Average Mass | 883.437 |
| Monoisotopic Mass | 882.76764 |
| SMILES | CCCC/C=C\CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC |
| InChI | InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-27,54H,4-14,16,19,21-23,28-53H2,1-3H3/b18-15-,20-17-,26-24-,27-25-/t54-/m0/s1 |
| InChIKey | YIKPYYUODQLYRB-ZTDVLWJBSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| Hepa-RG cell (BTO:0005736) | MetaboLights (MTBLS78) | ||
| NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| HeLa cell;NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| HeLa cell (BTO:0000567) | MetaboLights (MTBLS78) | ||
| Mus musculus (ncbitaxon:10090) | Hepa-RG cell (BTO:0005736) | MetaboLights (MTBLS78) | Strain: C57BL/6J [EFO:0000606] |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| TG(14:1(9Z)/20:2n6/20:1(11Z)) (CHEBI:170935) is a triglyceride (CHEBI:17855) |
| IUPAC Name |
|---|
| [(2R)-2-[(11Z,14Z)-icosa-11,14-dienoyl]oxy-3-[(Z)-tetradec-9-enoyl]oxypropyl] (Z)-icos-11-enoate |
| Manual Xrefs | Databases |
|---|---|
| 59657272 | ChemSpider |
| HMDB0048119 | HMDB |