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CHEBI:90498 - β-D-galactosyl-(1↔1')-N-octadecanoylsphinganine
| Formula | C42H83NO8 |
| Net Charge | 0 |
| Average Mass | 730.125 |
| Monoisotopic Mass | 729.61187 |
| SMILES | CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC |
| InChI | InChI=1S/C42H83NO8/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-38(46)43-35(34-50-42-41(49)40(48)39(47)37(33-44)51-42)36(45)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h35-37,39-42,44-45,47-49H,3-34H2,1-2H3,(H,43,46)/t35-,36+,37+,39-,40-,41+,42+/m0/s1 |
| InChIKey | DSRCOSQOBBICFU-CACBSBPQSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | - | MetaboLights (MTBLS143) |
| Roles Classification |
|---|
| Biological Role: | mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| β-D-galactosyl-(1↔1')-N-octadecanoylsphinganine (CHEBI:90498) has functional parent octadecanoic acid (CHEBI:28842) |
| β-D-galactosyl-(1↔1')-N-octadecanoylsphinganine (CHEBI:90498) has role mouse metabolite (CHEBI:75771) |
| β-D-galactosyl-(1↔1')-N-octadecanoylsphinganine (CHEBI:90498) is a β-D-galactosyl-(1↔1')-N-acylsphinganine (CHEBI:82920) |
| IUPAC Name |
|---|
| N-[(2S,3R)-1-(β-D-galactopyranosyloxy)-3-hydroxyoctadecan-2-yl]octadecanamide |
| Synonyms | Source |
|---|---|
| GalCer(d18:0/18:0) | ChEBI |
| N-(octadecanoyl)-1-β-galactosyl-sphinganine | ChEBI |
| β-D-galactosyl-(1↔1')-N-stearoylsphinganine | ChEBI |
| N-stearoyl-1-β-galactosylsphinganine | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:4342727 | Reaxys |