EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:170676 - TG(14:0/18:0/18:3(9Z,12Z,15Z))
| Formula | C53H96O6 |
| Net Charge | 0 |
| Average Mass | 829.345 |
| Monoisotopic Mass | 828.72069 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC |
| InChI | InChI=1S/C53H96O6/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/h7,10,16,19,24,26,50H,4-6,8-9,11-15,17-18,20-23,25,27-49H2,1-3H3/b10-7-,19-16-,26-24-/t50-/m1/s1 |
| InChIKey | HYCJEHMBNSROSN-RUNKTZMNSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| HeLa cell (BTO:0000567) | MetaboLights (MTBLS78) | ||
| HeLa cell;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(14:0/18:0/18:3(9Z,12Z,15Z)) (CHEBI:170676) is a triglyceride (CHEBI:17855) |
| IUPAC Name |
|---|
| [(2R)-1-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-3-tetradecanoyloxypropan-2-yl] octadecanoate |
| Manual Xrefs | Databases |
|---|---|
| 75320225 | ChemSpider |
| LMGL03014344 | LIPID MAPS |