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CHEBI:170810 - TG(22:1(13Z)/14:1(9Z)/18:3(6Z,9Z,12Z))
| Formula | C57H100O6 |
| Net Charge | 0 |
| Average Mass | 881.421 |
| Monoisotopic Mass | 880.75199 |
| SMILES | CCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC |
| InChI | InChI=1S/C57H100O6/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/h15,17-18,20,24-26,30,35,37,54H,4-14,16,19,21-23,27-29,31-34,36,38-53H2,1-3H3/b18-15-,20-17-,26-24-,30-25-,37-35-/t54-/m1/s1 |
| InChIKey | PPUMCDNARAYNQV-QICALWOQSA-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;NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| HeLa cell (BTO:0000567) | MetaboLights (MTBLS78) | ||
| NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| Hepa-RG cell (BTO:0005736) | MetaboLights (MTBLS78) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| TG(22:1(13Z)/14:1(9Z)/18:3(6Z,9Z,12Z)) (CHEBI:170810) is a triglyceride (CHEBI:17855) |
| IUPAC Name |
|---|
| [(2S)-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] (Z)-docos-13-enoate |
| Manual Xrefs | Databases |
|---|---|
| 59659440 | ChemSpider |
| HMDB0051530 | HMDB |