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CHEBI:75959 - 1-(3-O-sulfo-β-D-galactosyl)-N-[(2R)-2-hydroxystearoyl]sphingosine(1−)

ChEBI IDCHEBI:75959
ChEBI Name1-(3-O-sulfo-β-D-galactosyl)-N-[(2R)-2-hydroxystearoyl]sphingosine(1−)
Stars
ASCII Name1-(3-O-sulfo-beta-D-galactosyl)-N-[(2R)-2-hydroxystearoyl]sphingosine(1-)
DefinitionA galactosylceramide sulfate(1−) in which the ceramide N-acyl group is specified as (R)-2-hydroxystearoyl.
Last Modified24 October 2013
Submitterlaimo
DownloadsMolfile
FormulaC42H80NO12S
Net Charge-1
Average Mass823.164
Monoisotopic Mass822.54067
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)/p-1/b30-28+/t34-,35+,36+,37+,38-,39+,40-,42+/m0/s1
InChIKeyQAXLTFVHNINRAJ-BNGZFJQHSA-M
ChEBI Ontology
Outgoing Relation(s)
1-(3-O-sulfo-β-D-galactosyl)-N-[(2R)-2-hydroxystearoyl]sphingosine(1−) (CHEBI:75959) is a β-D-galactosylceramide sulfate(1−) (CHEBI:75956)
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)
Incoming Relation(s)
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)
IUPAC Name 
(2S,3R,4E)-3-hydroxy-2-{[(2R)-2-hydroxyoctadecanoyl]amino}octadec-4-en-1-yl 3-O-sulfonato-β-D-galactopyranoside
Synonyms  Source
1-(3-O-sulfo-β-D-galactosyl)-N-2-hydroxy-octadecanoylsphingosine(1−)SUBMITTER
2-hydroxyoctadecanoylgalactosylceramide sulfate(1−)SUBMITTER
UniProt Name  Source
1-(3-O-sulfo-β-D-galactosyl)-N-(2R)-2-hydroxy-octadecanoylsphingosineUniProt