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CHEBI:76066 - 1-(3-O-sulfo-β-D-galactosyl)-N-[(2R)-2-hydroxystearoyl]sphingosine

ChEBI IDCHEBI:76066
ChEBI Name1-(3-O-sulfo-β-D-galactosyl)-N-[(2R)-2-hydroxystearoyl]sphingosine
Stars
ASCII Name1-(3-O-sulfo-beta-D-galactosyl)-N-[(2R)-2-hydroxystearoyl]sphingosine
DefinitionA galactosylceramide sulfate in which the sulfo group is located at position 3 and the ceramide N-acyl group is specified as (R)-2-hydroxystearoyl.
Last Modified24 October 2013
SubmitterSteve
DownloadsMolfile
FormulaC42H81NO12S
Net Charge0
Average Mass824.172
Monoisotopic Mass823.54795
SMILESCCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OS(=O)(=O)O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCCCC
InChIInChI=1S/C42H81NO12S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36(46)41(49)43-34(35(45)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)33-53-42-39(48)40(55-56(50,51)52)38(47)37(32-44)54-42/h28,30,34-40,42,44-48H,3-27,29,31-33H2,1-2H3,(H,43,49)(H,50,51,52)/b30-28+/t34-,35+,36+,37+,38-,39+,40-,42+/m0/s1
InChIKeyQAXLTFVHNINRAJ-BNGZFJQHSA-N
Roles Classification
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
1-(3-O-sulfo-β-D-galactosyl)-N-[(2R)-2-hydroxystearoyl]sphingosine (CHEBI:76066) is a N-acyl-β-D-galactosylsphingosine (CHEBI:18390)
1-(3-O-sulfo-β-D-galactosyl)-N-[(2R)-2-hydroxystearoyl]sphingosine (CHEBI:76066) is a galactosylceramide sulfate (CHEBI:18318)
1-(3-O-sulfo-β-D-galactosyl)-N-[(2R)-2-hydroxystearoyl]sphingosine (CHEBI:76066) is conjugate acid of 1-(3-O-sulfo-β-D-galactosyl)-N-[(2R)-2-hydroxystearoyl]sphingosine(1−) (CHEBI:75959)
Incoming Relation(s)
1-(3-O-sulfo-β-D-galactosyl)-N-[(2R)-2-hydroxystearoyl]sphingosine(1−) (CHEBI:75959) is conjugate base of 1-(3-O-sulfo-β-D-galactosyl)-N-[(2R)-2-hydroxystearoyl]sphingosine (CHEBI:76066)
IUPAC Name 
(2R)-2-hydroxy-N-{(2S,3R,4E)-3-hydroxy-1-[(3-O-sulfo-β-D-galactopyranosyl)oxy]octadec-4-en-2-yl}octadecanamide
Synonyms  Source
1-(3-O-sulfo-β-D-galactosyl)-N-(2R)-2-hydroxyoctadecanoylsphingosineChEBI
2-hydroxyoctadecanoylgalactosylceramide sulfateChEBI