EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:170780 - TG(18:0/14:1(9Z)/20:3(5Z,8Z,11Z))
| Formula | C55H98O6 |
| Net Charge | 0 |
| Average Mass | 855.383 |
| Monoisotopic Mass | 854.73634 |
| SMILES | CCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC |
| InChI | InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h15,18,24,26,29,31,36,39,52H,4-14,16-17,19-23,25,27-28,30,32-35,37-38,40-51H2,1-3H3/b18-15-,26-24-,31-29-,39-36-/t52-/m0/s1 |
| InChIKey | PQYDYILXWYIRBF-XATFDGCDSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| HeLa cell;NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| Hepa-RG cell (BTO:0005736) | MetaboLights (MTBLS78) | ||
| HeLa cell (BTO:0000567) | MetaboLights (MTBLS78) | ||
| Mus musculus (ncbitaxon:10090) | Hepa-RG cell (BTO:0005736) | MetaboLights (MTBLS78) | Strain: C57BL/6J [EFO:0000606] |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| TG(18:0/14:1(9Z)/20:3(5Z,8Z,11Z)) (CHEBI:170780) is a triglyceride (CHEBI:17855) |
| IUPAC Name |
|---|
| [(2S)-3-octadecanoyloxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] (5Z,8Z,11Z)-icosa-5,8,11-trienoate |
| Manual Xrefs | Databases |
|---|---|
| HMDB0044866 | HMDB |
| 59654259 | ChemSpider |