EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C39H64O5 |
| Net Charge | 0 |
| Average Mass | 612.936 |
| Monoisotopic Mass | 612.47538 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCCCC |
| InChI | InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(42)44-37(35-40)36-43-38(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,20,22,26,28,37,40H,3-4,6,8-10,12,15,19,21,23-25,27,29-36H2,1-2H3/b7-5-,13-11-,16-14-,18-17-,22-20-,28-26-/t37-/m0/s1 |
| InChIKey | MUYDIVLBRBWUDW-JCIONVESSA-N |
| Roles Classification |
|---|
| Biological Roles: | Saccharomyces cerevisiae metabolite Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ). human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| DG(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)[iso2] (CHEBI:178269) is a 1,2-diglyceride (CHEBI:49172) |
| IUPAC Name |
|---|
| [(2S)-1-[(Z)-hexadec-9-enoyl]oxy-3-hydroxypropan-2-yl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate |
| Manual Xrefs | Databases |
|---|---|
| 7822702 | ChemSpider |
| LMGL02010086 | LIPID MAPS |
| HMDB0007143 | HMDB |