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CHEBI:171302 - TG(22:1(13Z)/14:1(9Z)/20:3n6)
| Formula | C59H104O6 |
| Net Charge | 0 |
| Average Mass | 909.475 |
| Monoisotopic Mass | 908.78329 |
| SMILES | CCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC |
| InChI | InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-27,32,34,56H,4-14,16,19,21-23,28-31,33,35-55H2,1-3H3/b18-15-,20-17-,26-24-,27-25-,34-32-/t56-/m1/s1 |
| InChIKey | RSSVAUCMKSOSJP-FXRYJFAKSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| HeLa cell;NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| HeLa cell (BTO:0000567) | MetaboLights (MTBLS78) | ||
| Hepa-RG cell (BTO:0005736) | MetaboLights (MTBLS78) | ||
| Mus musculus (ncbitaxon:10090) | Hepa-RG cell (BTO:0005736) | MetaboLights (MTBLS78) | Strain: C57BL/6J [EFO:0000606] |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| TG(22:1(13Z)/14:1(9Z)/20:3n6) (CHEBI:171302) is a triglyceride (CHEBI:17855) |
| IUPAC Name |
|---|
| [(2S)-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]oxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] (Z)-docos-13-enoate |
| Manual Xrefs | Databases |
|---|---|
| HMDB0051532 | HMDB |
| 59659442 | ChemSpider |