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CHEBI:91034 - β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1)-N-tetradecanoylsphingosine
| Formula | C44H83NO13 |
| Net Charge | 0 |
| Average Mass | 834.142 |
| Monoisotopic Mass | 833.58644 |
| 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)CCCCCCCCCCCCC |
| InChI | InChI=1S/C44H83NO13/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-33(48)32(45-36(49)28-26-24-22-20-17-14-12-10-8-6-4-2)31-55-43-41(54)39(52)42(35(30-47)57-43)58-44-40(53)38(51)37(50)34(29-46)56-44/h25,27,32-35,37-44,46-48,50-54H,3-24,26,28-31H2,1-2H3,(H,45,49)/b27-25+/t32-,33+,34+,35+,37-,38-,39+,40+,41+,42+,43+,44-/m0/s1 |
| InChIKey | JUDDTKPKWSMGFS-BJVHSUDMSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| - | PubMed (25502724) | ||
| - | MetaboLights (MTBLS93) | ||
| 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-(1→4)-β-D-glucosyl-(1↔1)-N-tetradecanoylsphingosine (CHEBI:91034) has functional parent tetradecanoic acid (CHEBI:28875) |
| β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1)-N-tetradecanoylsphingosine (CHEBI:91034) 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]tetradecanamide |
| Synonyms | Source |
|---|---|
| LacCer(d18:1/14:0) | ChEBI |
| N-(tetradecanoyl)-1-β-lactosylsphing-4-enine | LIPID MAPS |
| N-(tetradecanoyl)-1-β-lactosylsphingosine | ChEBI |
| β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1)-N-tetradecanoylsphing-4-enine | ChEBI |
| lactosylceramide (d18:1/14:0) | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| LMSP0501AB12 | LIPID MAPS |