EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C27H52O5 |
| Net Charge | 0 |
| Average Mass | 456.708 |
| Monoisotopic Mass | 456.38147 |
| SMILES | CCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC |
| InChI | InChI=1S/C27H52O5/c1-3-5-7-9-10-11-12-13-14-15-16-18-20-22-27(30)32-25(23-28)24-31-26(29)21-19-17-8-6-4-2/h25,28H,3-24H2,1-2H3/t25-/m0/s1 |
| InChIKey | ZQPJZDYDQDYJRX-VWLOTQADSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| blood serum (BTO:0000133) | MetaboLights (MTBLS2150) | ||
| blood serum (BTO:0000133) | MetaboLights (MTBLS2150) | ||
| blood serum (BTO:0000133) | MetaboLights (MTBLS2150) |
| 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(8:0/16:0/0:0) (CHEBI:180724) is a 1,2-diglyceride (CHEBI:49172) |
| IUPAC Name |
|---|
| [(2S)-1-hydroxy-3-octanoyloxypropan-2-yl] hexadecanoate |
| Manual Xrefs | Databases |
|---|---|
| HMDB0092923 | HMDB |
| 74857968 | ChemSpider |