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CHEBI:170785 - TG(18:0/18:3(6Z,9Z,12Z)/16:1(9Z))
| Formula | C55H98O6 |
| Net Charge | 0 |
| Average Mass | 855.383 |
| Monoisotopic Mass | 854.73634 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCCCCCCCCCC |
| InChI | InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,28,34,37,52H,4-16,18-19,22-23,25,27,29-33,35-36,38-51H2,1-3H3/b20-17-,24-21-,28-26-,37-34-/t52-/m1/s1 |
| InChIKey | NRUZVZPWQZLTCV-ZQFAHWRSSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| HeLa cell;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(18:0/18:3(6Z,9Z,12Z)/16:1(9Z)) (CHEBI:170785) is a triglyceride (CHEBI:17855) |
| IUPAC Name |
|---|
| [(2S)-3-[(Z)-hexadec-9-enoyl]oxy-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropyl] octadecanoate |
| Manual Xrefs | Databases |
|---|---|
| 59654477 | ChemSpider |
| HMDB0045105 | HMDB |