EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:170726 - TG(16:1(9Z)/18:0/18:3(6Z,9Z,12Z))
| Formula | C55H98O6 |
| Net Charge | 0 |
| Average Mass | 855.383 |
| Monoisotopic Mass | 854.73634 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@@H](COC(=O)CCCCCCC/C=C\CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC |
| InChI | InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,33,36,52H,4-15,17-18,20,22-23,26,28-32,34-35,37-51H2,1-3H3/b19-16-,24-21-,27-25-,36-33-/t52-/m1/s1 |
| InChIKey | DJFHIFMJEYKBGL-GFUSBGQSSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| HeLa cell (BTO:0000567) | MetaboLights (MTBLS78) | ||
| NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| Hepa-RG cell (BTO:0005736) | 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(16:1(9Z)/18:0/18:3(6Z,9Z,12Z)) (CHEBI:170726) is a triglyceride (CHEBI:17855) |
| IUPAC Name |
|---|
| [(2R)-1-[(Z)-hexadec-9-enoyl]oxy-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropan-2-yl] octadecanoate |
| Manual Xrefs | Databases |
|---|---|
| 75320493 | ChemSpider |
| LMGL03015814 | LIPID MAPS |