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CHEBI:84761 - β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1)-N-eicosanoylsphingosine
| Formula | C50H95NO13 |
| Net Charge | 0 |
| Average Mass | 918.304 |
| Monoisotopic Mass | 917.68034 |
| SMILES | CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCC |
| InChI | InChI=1S/C50H95NO13/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-42(55)51-38(39(54)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2)37-61-49-47(60)45(58)48(41(36-53)63-49)64-50-46(59)44(57)43(56)40(35-52)62-50/h31,33,38-41,43-50,52-54,56-60H,3-30,32,34-37H2,1-2H3,(H,51,55)/b33-31+/t38-,39+,40+,41+,43-,44-,45+,46+,47+,48+,49+,50-/m0/s1 |
| InChIKey | FGJIXPPBZNPEHW-CRMMDXJYSA-N |
| 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). mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1)-N-eicosanoylsphingosine (CHEBI:84761) has functional parent icosanoic acid (CHEBI:28822) |
| β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1)-N-eicosanoylsphingosine (CHEBI:84761) has role mouse metabolite (CHEBI:75771) |
| β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1)-N-eicosanoylsphingosine (CHEBI:84761) is a β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1)-N-acylsphingosine (CHEBI:17950) |
| IUPAC Name |
|---|
| N-[(2S,3R,4E)-1-{[4-O-(β-D-galactopyranosyl)-β-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]icosanamide |
| Synonyms | Source |
|---|---|
| LacCer(d18:1/20:0) | LIPID MAPS |
| N-(eicosanoyl)-1-b-lactosyl-sphing-4-enine | LIPID MAPS |
| Manual Xrefs | Databases |
|---|---|
| HMDB0011593 | HMDB |
| LMSP0501AB05 | LIPID MAPS |