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CHEBI:62723 - β-D-galactosyl-(1→4)-β-D-glucosyl-N-(2-hydroxydocosanoyl)sphingosine

Default Structure
ChEBI IDCHEBI:62723
ChEBI Nameβ-D-galactosyl-(1→4)-β-D-glucosyl-N-(2-hydroxydocosanoyl)sphingosine
Stars
ASCII Namebeta-D-galactosyl-(1->4)-beta-D-glucosyl-N-(2-hydroxydocosanoyl)sphingosine
DefinitionA β-D-galactosyl-(1→4)-β-D-glucosylceramide where the ceramide N-acyl group is specified as 2-hydroxydocosanoyl.
Last Modified8 August 2011
SubmitterSteve
DownloadsMolfile
FormulaC52H99NO14
Net Charge0
Average Mass962.357
Monoisotopic Mass961.70656
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)C(O)CCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C52H99NO14/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-35-41(57)50(63)53-39(40(56)34-32-30-28-26-24-22-16-14-12-10-8-6-4-2)38-64-51-48(62)46(60)49(43(37-55)66-51)67-52-47(61)45(59)44(58)42(36-54)65-52/h32,34,39-49,51-52,54-62H,3-31,33,35-38H2,1-2H3,(H,53,63)/b34-32+/t39-,40+,41?,42+,43+,44-,45-,46+,47+,48+,49+,51+,52-/m0/s1
InChIKeyDSXJGFYHKPSPMB-GTMGSBORSA-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-(2-hydroxydocosanoyl)sphingosine (CHEBI:62723) 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]-2-hydroxydocosanamide
Synonyms  Source
2-hydroxy-CDHChEBI
N-[(2S,3R,4E)-1-{[4-O-(β-D-galactopyranosyl)-β-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]-2-hydroxydocosanamideIUPAC
β-lactosyl-N-(2-hydroxydocosanoyl)sphingosineChEBI
Citations