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CHEBI:171477 - TG(22:0/14:0/18:3(6Z,9Z,12Z))
| Formula | C57H104O6 |
| Net Charge | 0 |
| Average Mass | 885.453 |
| Monoisotopic Mass | 884.78329 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC |
| InChI | InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h17,20,25,30,35,37,54H,4-16,18-19,21-24,26-29,31-34,36,38-53H2,1-3H3/b20-17-,30-25-,37-35-/t54-/m1/s1 |
| InChIKey | FXJPVPHYLZUPPO-KTEJGUCTSA-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) | |||
| 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) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| TG(22:0/14:0/18:3(6Z,9Z,12Z)) (CHEBI:171477) is a triglyceride (CHEBI:17855) |
| IUPAC Name |
|---|
| [(2S)-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxy-2-tetradecanoyloxypropyl] docosanoate |
| Manual Xrefs | Databases |
|---|---|
| 59655568 | ChemSpider |
| HMDB0046267 | HMDB |