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CHEBI:171403 - TG(16:0/20:3(5Z,8Z,11Z)/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)CCCCCCCCCCCCCCC)OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC |
| InChI | InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h15,18,24-25,27,29,35,38,50H,4-14,16-17,19-23,26,28,30-34,36-37,39-49H2,1-3H3/b18-15-,25-24-,29-27-,38-35-/t50-/m1/s1 |
| InChIKey | LKWRKLOTFPSBMY-OOSBIOLNSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | Hepa-RG cell (BTO:0005736) | MetaboLights (MTBLS78) | Strain: C57BL/6J [EFO:0000606] |
| Homo sapiens (ncbitaxon:9606) | |||
| Hepa-RG cell (BTO:0005736) | MetaboLights (MTBLS78) | ||
| NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| HeLa cell;NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| HeLa cell (BTO:0000567) | MetaboLights (MTBLS78) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| TG(16:0/20:3(5Z,8Z,11Z)/14:1(9Z)) (CHEBI:171403) is a triglyceride (CHEBI:17855) |
| IUPAC Name |
|---|
| [(2S)-1-hexadecanoyloxy-3-[(Z)-tetradec-9-enoyl]oxypropan-2-yl] (5Z,8Z,11Z)-icosa-5,8,11-trienoate |
| Manual Xrefs | Databases |
|---|---|
| HMDB0044170 | HMDB |
| 59653611 | ChemSpider |