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CHEBI:171227 - DG(18:1n7/0:0/20:3n9)
| Formula | C41H72O5 |
| Net Charge | 0 |
| Average Mass | 645.022 |
| Monoisotopic Mass | 644.53798 |
| SMILES | CCCCCC/C=C\CCCCCCCCCC(=O)OC[C@@H](O)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC |
| InChI | InChI=1S/C41H72O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h14,16-17,19,22,24,28,30,39,42H,3-13,15,18,20-21,23,25-27,29,31-38H2,1-2H3/b16-14-,19-17-,24-22-,30-28-/t39-/m1/s1 |
| InChIKey | AOJHJOJGZVBHGF-ZQTJDSEGSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| HeLa cell (BTO:0000567) | MetaboLights (MTBLS78) | ||
| Hepa-RG cell (BTO:0005736) | MetaboLights (MTBLS78) | ||
| HeLa cell;NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| Mus musculus (ncbitaxon:10090) | Hepa-RG cell (BTO:0005736) | MetaboLights (MTBLS78) | Strain: C57BL/6J [EFO:0000606] |
| 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(18:1n7/0:0/20:3n9) (CHEBI:171227) is a 1,3-diacyl-sn-glycerol (CHEBI:77272) |
| IUPAC Name |
|---|
| [(2R)-2-hydroxy-3-[(Z)-octadec-11-enoyl]oxypropyl] (5Z,8Z,11Z)-icosa-5,8,11-trienoate |
| Manual Xrefs | Databases |
|---|---|
| 74854535 | ChemSpider |
| HMDB0056180 | HMDB |