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CHEBI:75964 - 1-(3-O-sulfo-β-D-galactosyl)-N-[(2R)-2-hydroxylignoceroyl]sphingosine(1−)

ChEBI IDCHEBI:75964
ChEBI Name1-(3-O-sulfo-β-D-galactosyl)-N-[(2R)-2-hydroxylignoceroyl]sphingosine(1−)
Stars
ASCII Name1-(3-O-sulfo-beta-D-galactosyl)-N-[(2R)-2-hydroxylignoceroyl]sphingosine(1-)
DefinitionA galactosylceramide sulfate(1−) in which the ceramide N-acyl group is specified as (R)-2-hydroxylignoceroyl.
Last Modified24 October 2013
Submitterlaimo
DownloadsMolfile
FormulaC48H92NO12S
Net Charge-1
Average Mass907.326
Monoisotopic Mass906.63457
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)CCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C48H93NO12S/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-42(52)47(55)49-40(41(51)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2)39-59-48-45(54)46(61-62(56,57)58)44(53)43(38-50)60-48/h34,36,40-46,48,50-54H,3-33,35,37-39H2,1-2H3,(H,49,55)(H,56,57,58)/p-1/b36-34+/t40-,41+,42+,43+,44-,45+,46-,48+/m0/s1
InChIKeyQTTLKKFUOJQIRB-JOLIRYOJSA-M
ChEBI Ontology
Outgoing Relation(s)
1-(3-O-sulfo-β-D-galactosyl)-N-[(2R)-2-hydroxylignoceroyl]sphingosine(1−) (CHEBI:75964) is a β-D-galactosylceramide sulfate(1−) (CHEBI:75956)
1-(3-O-sulfo-β-D-galactosyl)-N-[(2R)-2-hydroxylignoceroyl]sphingosine(1−) (CHEBI:75964) is conjugate base of 1-(3-O-sulfo-β-D-galactosyl)-N-[(2R)-2-hydroxylignoceroyl]sphingosine (CHEBI:76069)
Incoming Relation(s)
1-(3-O-sulfo-β-D-galactosyl)-N-[(2R)-2-hydroxylignoceroyl]sphingosine (CHEBI:76069) is conjugate acid of 1-(3-O-sulfo-β-D-galactosyl)-N-[(2R)-2-hydroxylignoceroyl]sphingosine(1−) (CHEBI:75964)
IUPAC Name 
(2S,3R,4E)-3-hydroxy-2-{[(2R)-2-hydroxytetracosanoyl]amino}octadec-4-en-1-yl 3-O-sulfonato-β-D-galactopyranoside
Synonyms  Source
2-hydroxytetracosanoylgalactosylceramide sulfate(1−)SUBMITTER
2-hydroxytetracosanoyl sulfatide(1−)SUBMITTER
UniProt Name  Source
1-(3-O-sulfo-β-D-galactosyl)-N-(2R)-2-hydroxy-tetracosanoylsphingosineUniProt