EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:75340 - β-D-galactosyl-(1→4)-β-D-glucosyl-N-(hexacosanoyl)sphingosine
| Formula | C56H107NO13 |
| Net Charge | 0 |
| Average Mass | 1002.466 |
| Monoisotopic Mass | 1001.77424 |
| 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)CCCCCCCCCCCCCCCCCCCCCCCCC |
| InChI | InChI=1S/C56H107NO13/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-48(61)57-44(45(60)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2)43-67-55-53(66)51(64)54(47(42-59)69-55)70-56-52(65)50(63)49(62)46(41-58)68-56/h37,39,44-47,49-56,58-60,62-66H,3-36,38,40-43H2,1-2H3,(H,57,61)/b39-37+/t44-,45+,46+,47+,49-,50-,51+,52+,53+,54+,55+,56-/m0/s1 |
| InChIKey | IQRQEGPSHLXODZ-RDBBDEDXSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | - | MetaboLights (MTBLS143) | |
| Homo sapiens (ncbitaxon:9606) | - | MetaboLights (MTBLS358) |
| Roles Classification |
|---|
| Biological Roles: | 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). 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-N-(hexacosanoyl)sphingosine (CHEBI:75340) has functional parent hexacosanoic acid (CHEBI:31009) |
| β-D-galactosyl-(1→4)-β-D-glucosyl-N-(hexacosanoyl)sphingosine (CHEBI:75340) has role human metabolite (CHEBI:77746) |
| β-D-galactosyl-(1→4)-β-D-glucosyl-N-(hexacosanoyl)sphingosine (CHEBI:75340) has role mouse metabolite (CHEBI:75771) |
| β-D-galactosyl-(1→4)-β-D-glucosyl-N-(hexacosanoyl)sphingosine (CHEBI:75340) is a β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1)-N-acylsphingosine (CHEBI:17950) |
| IUPAC Names |
|---|
| N-[(2S,3R,4E)-1-{[β-D-galactopyranosyl-(1→4)-β-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]hexacosanamide |
| N-[(2S,3R,4E)-1-{[4-O-(β-D-galactopyranosyl)-β-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]hexacosanamide |
| Synonyms | Source |
|---|---|
| β-lactosyl-N-(hexacosanoyl)sphingosine | ChEBI |
| β-lactosylceramide | ChEBI |
| β-LacCer | ChEBI |
| LacCer(d18:1/26:0) | LIPID MAPS |
| N-(hexacosanoyl)-1-b-lactosyl-sphing-4-enine | LIPID MAPS |
| β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1)-N-hexacosanoylsphingosine | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| LMSP0501AB08 | LIPID MAPS |
| HMDB0004874 | HMDB |
| Citations |
|---|