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CHEBI:170763 - TG(20:0/18:3(6Z,9Z,12Z)/14:1(9Z))
| Formula | C55H98O6 |
| Net Charge | 0 |
| Average Mass | 855.383 |
| Monoisotopic Mass | 854.73634 |
| SMILES | CCCC/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC |
| InChI | InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,28,34,37,52H,4-14,16,19,21-24,26-27,29-33,35-36,38-51H2,1-3H3/b18-15-,20-17-,28-25-,37-34-/t52-/m1/s1 |
| InChIKey | MGSBTOPMZSCVHO-BZELGPTESA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| 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) | ||
| Mus musculus (ncbitaxon:10090) | Hepa-RG cell (BTO:0005736) | MetaboLights (MTBLS78) | Strain: C57BL/6J [EFO:0000606] |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| TG(20:0/18:3(6Z,9Z,12Z)/14:1(9Z)) (CHEBI:170763) is a triglyceride (CHEBI:17855) |
| IUPAC Name |
|---|
| [(2S)-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxy-3-[(Z)-tetradec-9-enoyl]oxypropyl] icosanoate |
| Manual Xrefs | Databases |
|---|---|
| LMGL03014811 | LIPID MAPS |
| 59655217 | ChemSpider |
| HMDB0045896 | HMDB |