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CHEBI:73432 - β-D-galactosyl-N-(dodecanoyl)sphingosine

ChEBI IDCHEBI:73432
ChEBI Nameβ-D-galactosyl-N-(dodecanoyl)sphingosine
Stars
ASCII Namebeta-D-galactosyl-N-(dodecanoyl)sphingosine
DefinitionA D-galactosyl-N-acylsphingosine in which the ceramide N-acyl group is dodecanoyl.
Last Modified14 January 2022
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC36H69NO8
Net Charge0
Average Mass643.947
Monoisotopic Mass643.50232
SMILESCCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC
InChIInChI=1S/C36H69NO8/c1-3-5-7-9-11-13-14-15-16-18-19-21-23-25-30(39)29(28-44-36-35(43)34(42)33(41)31(27-38)45-36)37-32(40)26-24-22-20-17-12-10-8-6-4-2/h23,25,29-31,33-36,38-39,41-43H,3-22,24,26-28H2,1-2H3,(H,37,40)/b25-23+/t29-,30+,31+,33-,34-,35+,36+/m0/s1
InChIKeyIYCYEZLMOLRFAN-XSXRAWBPSA-N
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
β-D-galactosyl-N-(dodecanoyl)sphingosine (CHEBI:73432) is a N-acyl-β-D-galactosylsphingosine (CHEBI:18390)
IUPAC Name 
N-[(2S,3S,4E)-1-(β-D-galactopyranosyloxy)-3-hydroxyoctadec-4-en-2-yl]dodecanamide
Synonyms  Source
1-O-β-D-galactopyranosyl-N-(dodecanoyl)sphingosineChEBI
β-GalCer (C12)ChEBI
β-GalCer (C12)ChEBI
β-GalCer (C12:0)ChEBI
β-GalCer (C12:0)ChEBI
C12-β-galactosyl ceramideChEBI
UniProt Name  Source
1-(β-D-galactosyl)-N-dodecanoylsphing-4-enineUniProt
Registry NumbersSources
Reaxys:12618572Reaxys
Citations