EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

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

ChEBI IDCHEBI:62109
ChEBI Nameβ-D-galactosyl-(1→4)-β-D-glucosyl-N-(docosanoyl)sphingosine
Stars
ASCII Namebeta-D-galactosyl-(1->4)-beta-D-glucosyl-N-(docosanoyl)sphingosine
DefinitionA β-D-galactosyl-(1→4)-β-D-glucosylceramide where the ceramide N-acyl group is specified as docosanoyl.
Last Modified27 August 2013
SubmitterSteve
DownloadsMolfile
FormulaC52H99NO13
Net Charge0
Average Mass946.358
Monoisotopic Mass945.71164
SMILESCCCCCCCCCCCCC/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)CCCCCCCCCCCCCCCCCCCCC
InChIInChI=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
InChIKeyQYWVASPEUXEHSY-NNRNTGNWSA-N
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).
ChEBI Ontology
Outgoing Relation(s)
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  Source
β-lactosyl-N-(docosanoyl)sphingosineChEBI
N-[(2S,3R,4E)-1-{[4-O-(β-D-galactopyranosyl)-β-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]docosanamideIUPAC
CDHChEBI
β-lactosylceramideChEBI
β-LacCerChEBI
Citations