EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:171301 - TG(24:1(15Z)/14:1(9Z)/18:3(6Z,9Z,12Z))
| Formula | C59H104O6 |
| Net Charge | 0 |
| Average Mass | 909.475 |
| Monoisotopic Mass | 908.78329 |
| SMILES | CCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC |
| InChI | InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-26,32,37,39,56H,4-14,16,19,21-23,27-31,33-36,38,40-55H2,1-3H3/b18-15-,20-17-,26-24-,32-25-,39-37-/t56-/m1/s1 |
| InChIKey | XVWODLHVAHKWDL-OEPAISGXSA-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(24:1(15Z)/14:1(9Z)/18:3(6Z,9Z,12Z)) (CHEBI:171301) is a triglyceride (CHEBI:17855) |
| IUPAC Name |
|---|
| [(2S)-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] (Z)-tetracos-15-enoate |
| Manual Xrefs | Databases |
|---|---|
| HMDB0052031 | HMDB |
| 59660868 | ChemSpider |