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CHEBI:170883 - TG(18:2(9Z,12Z)/14:0/22:2(13Z,16Z))
| Formula | C57H102O6 |
| Net Charge | 0 |
| Average Mass | 883.437 |
| Monoisotopic Mass | 882.76764 |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCCCCC |
| InChI | InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-26,30,54H,4-15,18,21-23,27-29,31-53H2,1-3H3/b19-16-,20-17-,26-24-,30-25-/t54-/m0/s1 |
| InChIKey | LDVDALBKRWDBPL-WTNQUSKBSA-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(18:2(9Z,12Z)/14:0/22:2(13Z,16Z)) (CHEBI:170883) is a triglyceride (CHEBI:17855) |
| IUPAC Name |
|---|
| [(2R)-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-2-tetradecanoyloxypropyl] (13Z,16Z)-docosa-13,16-dienoate |
| Manual Xrefs | Databases |
|---|---|
| HMDB0052401 | HMDB |
| 59661212 | ChemSpider |