EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:170407 - TG(18:2(9Z,12Z)/20:1(11Z)/18:3(9Z,12Z,15Z))
| Formula | C59H102O6 |
| Net Charge | 0 |
| Average Mass | 907.459 |
| Monoisotopic Mass | 906.76764 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCC/C=C\CCCCCCCC |
| InChI | InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,25-28,30-31,56H,4-7,9-10,12-16,19,22-24,29,32-55H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,30-26-,31-27-/t56-/m1/s1 |
| InChIKey | YDMVFEKLQCYPQD-BMWKCPJHSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| HeLa cell;NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| HeLa cell (BTO:0000567) | 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)/20:1(11Z)/18:3(9Z,12Z,15Z)) (CHEBI:170407) is a triglyceride (CHEBI:17855) |
| IUPAC Name |
|---|
| [(2S)-1-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropan-2-yl] (Z)-icos-11-enoate |
| Manual Xrefs | Databases |
|---|---|
| 59661353 | ChemSpider |
| HMDB0052569 | HMDB |