EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C35H68O5 |
| Net Charge | 0 |
| Average Mass | 568.924 |
| Monoisotopic Mass | 568.50668 |
| SMILES | CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COC(=O)CCCCCCCCC |
| InChI | InChI=1S/C35H68O5/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-24-26-28-30-35(38)40-32-33(36)31-39-34(37)29-27-25-23-10-8-6-4-2/h33,36H,3-32H2,1-2H3/t33-/m0/s1 |
| InChIKey | WPYLEIMKSLLCPE-XIFFEERXSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | Hepa-RG cell (BTO:0005736) | MetaboLights (MTBLS78) | Strain: C57BL/6J [EFO:0000606] |
| Homo sapiens (ncbitaxon:9606) | |||
| HeLa cell (BTO:0000567) | MetaboLights (MTBLS78) | ||
| NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| HeLa cell;NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| Hepa-RG cell (BTO:0005736) | MetaboLights (MTBLS78) |
| 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(22:0/0:0/10:0) (CHEBI:170291) is a 1,3-diglyceride (CHEBI:47777) |
| IUPAC Name |
|---|
| [(2S)-3-decanoyloxy-2-hydroxypropyl] docosanoate |
| Manual Xrefs | Databases |
|---|---|
| HMDB0093012 | HMDB |
| 59692094 | ChemSpider |