EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C63H116O6 |
| Net Charge | 0 |
| Average Mass | 969.615 |
| Monoisotopic Mass | 968.87719 |
| SMILES | CCCCCCCC/C=C\CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCCCC/C=C\CCCCCCCC |
| InChI | InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,60H,4-24,31-59H2,1-3H3/b28-25-,29-26-,30-27- |
| InChIKey | XKXYLRHFXANGHG-IUPFWZBJSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Sus scrofa (ncbitaxon:9823) | sausage (ENVO:00002166) | MetaboLights (MTBLS2871) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| TG(20:1(11Z)/20:1(11Z)/20:1(11Z)) (CHEBI:177542) is a triglyceride (CHEBI:17855) |
| IUPAC Name |
|---|
| 2,3-bis[[(Z)-icos-11-enoyl]oxy]propyl (Z)-icos-11-enoate |
| Manual Xrefs | Databases |
|---|---|
| 7824067 | ChemSpider |
| HMDB0005464 | HMDB |
| LMGL03011156 | LIPID MAPS |