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CHEBI:171391 - TG(18:0/18:3(6Z,9Z,12Z)/14:1(9Z))
| Formula | C53H94O6 |
| Net Charge | 0 |
| Average Mass | 827.329 |
| Monoisotopic Mass | 826.70504 |
| SMILES | CCCC/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC |
| InChI | InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,27,32,35,50H,4-14,16,19,21-24,26,28-31,33-34,36-49H2,1-3H3/b18-15-,20-17-,27-25-,35-32-/t50-/m1/s1 |
| InChIKey | UHTWMNNYFNHAGE-YPPAEUEOSA-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(18:0/18:3(6Z,9Z,12Z)/14:1(9Z)) (CHEBI:171391) is a triglyceride (CHEBI:17855) |
| IUPAC Name |
|---|
| [(2S)-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxy-3-[(Z)-tetradec-9-enoyl]oxypropyl] octadecanoate |
| Manual Xrefs | Databases |
|---|---|
| 59654476 | ChemSpider |
| HMDB0045104 | HMDB |