EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C48H93NO8 |
| Net Charge | 0 |
| Average Mass | 812.271 |
| Monoisotopic Mass | 811.69012 |
| SMILES | CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCC |
| InChI | InChI=1S/C48H93NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-44(52)49-41(40-56-48-47(55)46(54)45(53)43(39-50)57-48)42(51)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h35,37,41-43,45-48,50-51,53-55H,3-34,36,38-40H2,1-2H3,(H,49,52)/b37-35+/t41-,42+,43+,45-,46-,47+,48+/m0/s1 |
| InChIKey | POQRWMRXUOPCLD-HIIAJUEOSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | - | MetaboLights (MTBLS143) |
| Roles Classification |
|---|
| Biological Roles: | mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| β-D-galactosyl-N-(tetracosanoyl)sphingosine (CHEBI:75186) has functional parent tetracosanoic acid (CHEBI:28866) |
| β-D-galactosyl-N-(tetracosanoyl)sphingosine (CHEBI:75186) has role mouse metabolite (CHEBI:75771) |
| β-D-galactosyl-N-(tetracosanoyl)sphingosine (CHEBI:75186) is a N-acyl-β-D-galactosylsphingosine (CHEBI:18390) |
| IUPAC Name |
|---|
| N-[(2S,3R,4E)-1-(β-D-galactopyranosyloxy)-3-hydroxyoctadec-4-en-2-yl]tetracosanamide |
| Synonyms | Source |
|---|---|
| β-GalCer | ChEBI |
| Galβ-Cer(d18:1/24:0) | LIPID MAPS |
| GalCer(d18:1/24:0) | LIPID MAPS |
| Manual Xrefs | Databases |
|---|---|
| GCY | PDBeChem |
| LMSP0501AC05 | LIPID MAPS |
| Registry Numbers | Sources |
|---|---|
| Beilstein:74249 | Beilstein |
| Citations |
|---|