EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C35H68O5 |
| Net Charge | 0 |
| Average Mass | 568.924 |
| Monoisotopic Mass | 568.50668 |
| SMILES | CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C |
| InChI | InChI=1S/C35H68O5/c1-4-5-6-21-26-29-35(38)40-33(30-36)31-39-34(37)28-25-23-20-18-16-14-12-10-8-7-9-11-13-15-17-19-22-24-27-32(2)3/h32-33,36H,4-31H2,1-3H3/t33-/m0/s1 |
| InChIKey | LYYWTCSOJQNNNP-XIFFEERXSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| HeLa cell;NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| Hepa-RG cell (BTO:0005736) | MetaboLights (MTBLS78) | ||
| NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| HeLa cell (BTO:0000567) | MetaboLights (MTBLS78) | ||
| Mus musculus (ncbitaxon:10090) | Hepa-RG cell (BTO:0005736) | MetaboLights (MTBLS78) | Strain: C57BL/6J [EFO:0000606] |
| 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(i-24:0/8:0/0:0) (CHEBI:170268) is a 1,2-diglyceride (CHEBI:49172) |
| IUPAC Name |
|---|
| [(2S)-3-hydroxy-2-octanoyloxypropyl] 22-methyltricosanoate |
| Manual Xrefs | Databases |
|---|---|
| 74858740 | ChemSpider |
| HMDB0094522 | HMDB |