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CHEBI:171396 - TG(16:0/18:3(6Z,9Z,12Z)/16:1(9Z))
| Formula | C53H94O6 |
| Net Charge | 0 |
| Average Mass | 827.329 |
| Monoisotopic Mass | 826.70504 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCCCCCCCC |
| InChI | InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-25-26-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-28-24-21-18-15-12-9-6-3/h16,19-20,23,25-26,32,35,50H,4-15,17-18,21-22,24,27-31,33-34,36-49H2,1-3H3/b19-16-,23-20-,26-25-,35-32-/t50-/m1/s1 |
| InChIKey | ALHQZEHCWLIQKP-DYLOEZLYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| HeLa cell;NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| Hepa-RG cell (BTO:0005736) | MetaboLights (MTBLS78) | ||
| HeLa cell (BTO:0000567) | MetaboLights (MTBLS78) | ||
| 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(16:0/18:3(6Z,9Z,12Z)/16:1(9Z)) (CHEBI:171396) is a triglyceride (CHEBI:17855) |
| IUPAC Name |
|---|
| [(2S)-1-hexadecanoyloxy-3-[(Z)-hexadec-9-enoyl]oxypropan-2-yl] (6Z,9Z,12Z)-octadeca-6,9,12-trienoate |
| Manual Xrefs | Databases |
|---|---|
| HMDB0044283 | HMDB |
| 59653716 | ChemSpider |