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CHEBI:170452 - TG(20:1(11Z)/18:2(9Z,12Z)/18:3(6Z,9Z,12Z))
| Formula | C59H102O6 |
| Net Charge | 0 |
| Average Mass | 907.459 |
| Monoisotopic Mass | 906.76764 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC |
| InChI | InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-28,30-31,36,39,56H,4-16,19,22-24,29,32-35,37-38,40-55H2,1-3H3/b20-17-,21-18-,28-25-,30-26-,31-27-,39-36-/t56-/m1/s1 |
| InChIKey | KCNPGVUPWCTTNI-VLIIYHGJSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| Hepa-RG cell (BTO:0005736) | MetaboLights (MTBLS78) | ||
| HeLa cell (BTO:0000567) | MetaboLights (MTBLS78) | ||
| HeLa cell;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(20:1(11Z)/18:2(9Z,12Z)/18:3(6Z,9Z,12Z)) (CHEBI:170452) is a triglyceride (CHEBI:17855) |
| IUPAC Name |
|---|
| [(2S)-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropyl] (Z)-icos-11-enoate |
| Manual Xrefs | Databases |
|---|---|
| 59660513 | ChemSpider |
| HMDB0050590 | HMDB |