EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C35H68O5 |
| Net Charge | 0 |
| Average Mass | 568.924 |
| Monoisotopic Mass | 568.50668 |
| SMILES | CCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCC(C)CC |
| InChI | InChI=1S/C35H68O5/c1-4-6-7-8-9-10-11-12-16-19-22-25-28-34(37)39-31-33(30-36)40-35(38)29-26-23-20-17-14-13-15-18-21-24-27-32(3)5-2/h32-33,36H,4-31H2,1-3H3/t32?,33-/m0/s1 |
| InChIKey | NMCZHAWTYOSFJR-OBOZPERJSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| HeLa cell (BTO:0000567) | MetaboLights (MTBLS78) | ||
| Hepa-RG cell (BTO:0005736) | MetaboLights (MTBLS78) | ||
| HeLa cell;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: | 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(15:0/a-17:0/0:0) (CHEBI:170347) is a 1,2-diglyceride (CHEBI:49172) |
| IUPAC Name |
|---|
| [(2S)-1-hydroxy-3-pentadecanoyloxypropan-2-yl] 14-methylhexadecanoate |
| Manual Xrefs | Databases |
|---|---|
| 74858255 | ChemSpider |
| HMDB0093520 | HMDB |