CHEBI:62109 - β-D-galactosyl-(1→4)-β-D-glucosyl-N-(docosanoyl)sphingosine

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name β-D-galactosyl-(1→4)-β-D-glucosyl-N-(docosanoyl)sphingosine ChEBI ID CHEBI:62109 ChEBI ASCII Name beta-D-galactosyl-(1->4)-beta-D-glucosyl-N-(docosanoyl)sphingosine Definition A β-D-galactosyl-(1→4)-β-D-glucosylceramide where the ceramide N-acyl group is specified as docosanoyl. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information ZINC000096085197 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C52H99NO13 Net Charge 0 Average Mass 946.34140 Monoisotopic Mass 945.71164 InChI InChI=1S/C52H99NO13/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-44(57)53-40(41(56)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2)39-63-51-49(62)47(60)50(43(38-55)65-51)66-52-48(61)46(59)45(58)42(37-54)64-52/h33,35,40-43,45-52,54-56,58-62H,3-32,34,36-39H2,1-2H3,(H,53,57)/b35-33+/t40-,41+,42+,43+,45-,46-,47+,48+,49+,50+,51+,52-/m0/s1 InChIKey QYWVASPEUXEHSY-NNRNTGNWSA-N SMILES CCCCCCCCCCCCCCCCCCCCCC(=O)N[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)[C@H](O)\C=C\CCCCCCCCCCCCC Roles Classification Biological Role(s): human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). (via beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-N-acylsphingosine ) mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). (via beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-N-acylsphingosine ) View more via ChEBI Ontology ChEBI Ontology Outgoing β-D-galactosyl-(1→4)-β-D-glucosyl-N-(docosanoyl)sphingosine (CHEBI:62109) is a β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1)-N-acylsphingosine (CHEBI:17950) IUPAC Name N-[(2S,3R,4E)-1-{[β-D-galactopyranosyl-(1→4)-β-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]docosanamide Synonyms Sources β-LacCer ChEBI β-lactosyl-N-(docosanoyl)sphingosine ChEBI β-lactosylceramide ChEBI CDH ChEBI N-[(2S,3R,4E)-1-{[4-O-(β-D-galactopyranosyl)-β-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]docosanamide IUPAC Citation Last Modified 27 August 2013