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| 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)OC[C@H](CO)OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC |
| InChI | InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,24,26,37,40H,3-4,6,8-10,15-16,21-23,25,27-36H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-,26-24-/t37-/m0/s1 |
| InChIKey | QBTJRRWTWAXKSO-UKPISMAMSA-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) |
| DG(18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z)/0:0) (CHEBI:178274) is a 1,2-diacyl-sn-glycerol (CHEBI:17815) |
| IUPAC Name |
|---|
| [(2S)-1-hydroxy-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropan-2-yl] (6Z,9Z,12Z)-octadeca-6,9,12-trienoate |
| Manual Xrefs | Databases |
|---|---|
| 24766057 | ChemSpider |
| HMDB0007307 | HMDB |