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CHEBI:170820 - TG(20:1(11Z)/16:1(9Z)/18:3(6Z,9Z,12Z))
| Formula | C57H100O6 |
| Net Charge | 0 |
| Average Mass | 881.421 |
| Monoisotopic Mass | 880.75199 |
| 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\CCCCCC |
| InChI | InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-27,29,34,37,54H,4-16,18-19,22-23,28,30-33,35-36,38-53H2,1-3H3/b20-17-,24-21-,27-25-,29-26-,37-34-/t54-/m1/s1 |
| InChIKey | OHIKEWGTVMTPFC-GFNRGQKQSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| Hepa-RG cell (BTO:0005736) | MetaboLights (MTBLS78) | ||
| HeLa cell;NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| HeLa cell (BTO:0000567) | MetaboLights (MTBLS78) | ||
| 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)/16:1(9Z)/18:3(6Z,9Z,12Z)) (CHEBI:170820) is a triglyceride (CHEBI:17855) |
| IUPAC Name |
|---|
| [(2S)-2-[(Z)-hexadec-9-enoyl]oxy-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropyl] (Z)-icos-11-enoate |
| Manual Xrefs | Databases |
|---|---|
| 59660391 | ChemSpider |
| HMDB0050457 | HMDB |