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CHEBI:76991 - β-D-galactosyl-N-(nervonoyl)sphingosine

ChEBI IDCHEBI:76991
ChEBI Nameβ-D-galactosyl-N-(nervonoyl)sphingosine
Stars
ASCII Namebeta-D-galactosyl-N-(nervonoyl)sphingosine
DefinitionA D-galactosyl-N-acylsphingosine where the ceramide N-acyl group is nervonoyl [(15Z)-tetracos-15-enoyl] and the D-galactosyl component has β anomeric configuration.
Last Modified15 January 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC48H91NO8
Net Charge0
Average Mass810.255
Monoisotopic Mass809.67447
SMILESCCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC
InChIInChI=1S/C48H91NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-44(52)49-41(40-56-48-47(55)46(54)45(53)43(39-50)57-48)42(51)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h17-18,35,37,41-43,45-48,50-51,53-55H,3-16,19-34,36,38-40H2,1-2H3,(H,49,52)/b18-17-,37-35+/t41-,42+,43+,45-,46-,47+,48+/m0/s1
InChIKeyWBOZIXHPUPAOIA-JMDWBTAUSA-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-(nervonoyl)sphingosine (CHEBI:76991) is a N-acyl-β-D-galactosylsphingosine (CHEBI:18390)
IUPAC Name 
(15Z)-N-[(2S,3R,4E)-1-(β-D-galactopyranosyloxy)-3-hydroxyoctadec-4-en-2-yl]tetracos-15-enamide
Synonyms  Source
N-nervonoylgalactosylsphingosineChEBI
N-nervonyl-β-galactosylsphingosineChEBI
C24:1-β-glucosyl ceramideChEBI
C24:1 β-D-galactosyl ceramideChEBI
C24:1 β-GalCerChEBI
1-O-β-D-galactopyranosyl-N-(nervonoyl)sphingosineChEBI
Registry NumbersSources
Reaxys:74479Reaxys
CAS:17283-91-9ChemIDplus
Citations