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CHEBI:75961 - 1-(3-O-sulfo-β-D-galactosyl)-N-[(2R)-2-hydroxybehenoyl]sphingosine(1−)

ChEBI IDCHEBI:75961
ChEBI Name1-(3-O-sulfo-β-D-galactosyl)-N-[(2R)-2-hydroxybehenoyl]sphingosine(1−)
Stars
ASCII Name1-(3-O-sulfo-beta-D-galactosyl)-N-[(2R)-2-hydroxybehenoyl]sphingosine(1-)
DefinitionA galactosylceramide sulfate(1−) in which the ceramide N-acyl group is specified as (R)-2-hydroxybehenoyl.
Last Modified24 October 2013
Submitterlaimo
DownloadsMolfile
FormulaC46H88NO12S
Net Charge-1
Average Mass879.272
Monoisotopic Mass878.60327
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)CCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C46H89NO12S/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-35-40(50)45(53)47-38(39(49)34-32-30-28-26-24-22-16-14-12-10-8-6-4-2)37-57-46-43(52)44(59-60(54,55)56)42(51)41(36-48)58-46/h32,34,38-44,46,48-52H,3-31,33,35-37H2,1-2H3,(H,47,53)(H,54,55,56)/p-1/b34-32+/t38-,39+,40+,41+,42-,43+,44-,46+/m0/s1
InChIKeySONRUZAYRBQUDC-MXFRPCGWSA-M
ChEBI Ontology
Outgoing Relation(s)
1-(3-O-sulfo-β-D-galactosyl)-N-[(2R)-2-hydroxybehenoyl]sphingosine(1−) (CHEBI:75961) is a β-D-galactosylceramide sulfate(1−) (CHEBI:75956)
1-(3-O-sulfo-β-D-galactosyl)-N-[(2R)-2-hydroxybehenoyl]sphingosine(1−) (CHEBI:75961) is conjugate base of 1-(3-O-sulfo-β-D-galactosyl)-N-[(2R)-2-hydroxybehenoyl]sphingosine (CHEBI:76067)
Incoming Relation(s)
1-(3-O-sulfo-β-D-galactosyl)-N-[(2R)-2-hydroxybehenoyl]sphingosine (CHEBI:76067) is conjugate acid of 1-(3-O-sulfo-β-D-galactosyl)-N-[(2R)-2-hydroxybehenoyl]sphingosine(1−) (CHEBI:75961)
IUPAC Name 
(2S,3R,4E)-3-hydroxy-2-{[(2R)-2-hydroxydocosanoyl]amino}octadec-4-en-1-yl 3-O-sulfonato-β-D-galactopyranoside
Synonyms  Source
2-hydroxydocosanoylgalactosylceramide sulfate(1−)SUBMITTER
2-hydroxydocosanoyl sulfatide(1−)SUBMITTER
UniProt Name  Source
1-(3-O-sulfo-β-D-galactosyl)-N-(2R)-2-hydroxy-docosanoylsphingosineUniProt