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\CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC |
| InChI | InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,37,40H,3-4,9-10,15-16,21-36H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18- |
| InChIKey | NSOPGAYUGBZWHL-YTWBPVBXSA-N |
| Roles Classification |
|---|
| Biological Roles: | human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). Saccharomyces cerevisiae metabolite Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1,3-dilinolenoylglycerol (CHEBI:75852) has functional parent α-linolenic acid (CHEBI:27432) |
| 1,3-dilinolenoylglycerol (CHEBI:75852) is a 1,3-diglyceride (CHEBI:47777) |
| IUPAC Name |
|---|
| 2-hydroxypropane-1,3-diyl (9Z,12Z,15Z,9'Z,12'Z,15'Z)bis-octadeca-9,12,15-trienoate |
| Synonyms | Source |
|---|---|
| DG[18:3(ω-3)/0:0/18:3(ω-3)] | SUBMITTER |
| 1.3-dilinolenin | ChEBI |
| glyceryl 1,3-dilinoleneate | ChEBI |
| UniProt Name | Source |
|---|---|
| 1,3-di-(9Z,12Z,15Z)-octadecatrienoylglycerol | UniProt |
| Registry Numbers | Sources |
|---|---|
| Reaxys:1730459 | Reaxys |