CHEBI:76067 - 1-(3-O-sulfo-β-D-galactosyl)-N-[(2R)-2-hydroxybehenoyl]sphingosine

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ChEBI Name 1-(3-O-sulfo-β-D-galactosyl)-N-[(2R)-2-hydroxybehenoyl]sphingosine
ChEBI ID CHEBI:76067
ChEBI ASCII Name 1-(3-O-sulfo-beta-D-galactosyl)-N-[(2R)-2-hydroxybehenoyl]sphingosine
Definition A galactosylceramide sulfate in which the sulfo group is located at position 3 and the ceramide N-acyl group is specified as (R)-2-hydroxybehenoyl.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C46H89NO12S
Net Charge 0
Average Mass 880.26300
Monoisotopic Mass 879.61055
InChI InChI=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)/b34-32+/t38-,39+,40+,41+,42-,43+,44-,46+/m0/s1
InChIKey SONRUZAYRBQUDC-MXFRPCGWSA-N
SMILES CCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OS(O)(=O)=O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
(via N-acyl-beta-D-galactosylsphingosine )
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
(via galactosylceramide sulfate )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1-(3-O-sulfo-β-D-galactosyl)-N-[(2R)-2-hydroxybehenoyl]sphingosine (CHEBI:76067) is a N-acyl-β-D-galactosylsphingosine (CHEBI:18390)
1-(3-O-sulfo-β-D-galactosyl)-N-[(2R)-2-hydroxybehenoyl]sphingosine (CHEBI:76067) is a galactosylceramide sulfate (CHEBI:18318)
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)
Incoming 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)
IUPAC Name
(2R)-2-hydroxy-N-{(2S,3R,4E)-3-hydroxy-1-[(3-O-sulfo-β-D-galactopyranosyl)oxy]octadec-4-en-2-yl}docosanamide
Synonyms Sources
1-(3-O-sulfo-β-D-galactosyl)-N-[(2R)-2-hydroxydocosanoyl]sphingosine ChEBI
2-hydroxydocosanoyl sulfatide ChEBI
2-hydroxydocosanoylgalactosylceramide sulfate ChEBI
Last Modified
24 October 2013