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CHEBI:170681 - TG(14:0/18:3(6Z,9Z,12Z)/18:0)
| Formula | C53H96O6 |
| Net Charge | 0 |
| Average Mass | 829.345 |
| Monoisotopic Mass | 828.72069 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC |
| InChI | InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h17,20,25,27,32,35,50H,4-16,18-19,21-24,26,28-31,33-34,36-49H2,1-3H3/b20-17-,27-25-,35-32-/t50-/m0/s1 |
| InChIKey | MKMWDFMEBLAFLB-BSOQDWHRSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| HeLa cell;NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| Hepa-RG cell (BTO:0005736) | 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(14:0/18:3(6Z,9Z,12Z)/18:0) (CHEBI:170681) is a triglyceride (CHEBI:17855) |
| IUPAC Name |
|---|
| [(2S)-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxy-3-tetradecanoyloxypropyl] octadecanoate |
| Manual Xrefs | Databases |
|---|---|
| 59652092 | ChemSpider |
| HMDB0042544 | HMDB |