EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C56H90O6 |
| Net Charge | 0 |
| Average Mass | 859.330 |
| Monoisotopic Mass | 858.67374 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC |
| InChI | InChI=1S/C56H90O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-27,29-31,35,37-38,40,53H,4-6,9,12-15,18,21-24,28,32-34,36,39,41-52H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,29-26-,31-30-,38-35-,40-37-/t53-/m1/s1 |
| InChIKey | FTNPJDAJOYFDJL-RIJSEVNGSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Bos taurus (ncbitaxon:9913) | spermatozoon (BTO:0001277) | MetaboLights (MTBLS1071) | Strain: Holstein [LBO:0000132] |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| TG(15:0/18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)) (CHEBI:185290) is a triglyceride (CHEBI:17855) |
| IUPAC Name |
|---|
| [(2R)-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxy-3-pentadecanoyloxypropyl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate |
| Manual Xrefs | Databases |
|---|---|
| 113373272 | ChemSpider |
| LMGL03015227 | LIPID MAPS |