CHEBI:76069 - 1-(3-O-sulfo-β-D-galactosyl)-N-[(2R)-2-hydroxylignoceroyl]sphingosine

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ChEBI Name 1-(3-O-sulfo-β-D-galactosyl)-N-[(2R)-2-hydroxylignoceroyl]sphingosine
ChEBI ID CHEBI:76069
ChEBI ASCII Name 1-(3-O-sulfo-beta-D-galactosyl)-N-[(2R)-2-hydroxylignoceroyl]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-hydroxylignoceroyl.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C48H93NO12S
Net Charge 0
Average Mass 908.31700
Monoisotopic Mass 907.642
InChI InChI=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)/b36-34+/t40-,41+,42+,43+,44-,45+,46-,48+/m0/s1
InChIKey QTTLKKFUOJQIRB-JOLIRYOJSA-N
SMILES CCCCCCCCCCCCCCCCCCCCCC[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-hydroxylignoceroyl]sphingosine (CHEBI:76069) has functional parent (R)-2-hydroxylignoceric acid (CHEBI:76036)
1-(3-O-sulfo-β-D-galactosyl)-N-[(2R)-2-hydroxylignoceroyl]sphingosine (CHEBI:76069) is a N-acyl-β-D-galactosylsphingosine (CHEBI:18390)
1-(3-O-sulfo-β-D-galactosyl)-N-[(2R)-2-hydroxylignoceroyl]sphingosine (CHEBI:76069) is a galactosylceramide sulfate (CHEBI:18318)
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)
Incoming 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)
IUPAC Names
(2R)-2-hydroxy-N-{(2S,3R,4E)-3-hydroxy-1-[(3-O-sulfo-β-D-galactopyranosyl)oxy]octadec-4-en-2-yl}tetracosanamide
1-(3-O-sulfo-β-D-galactosyl)-N-[(2R)-2-hydroxytetracosanoyl]sphingosine
Synonyms Sources
2-hydroxytetracosanoyl sulfatide ChEBI
2-hydroxytetracosanoylgalactosylceramide sulfate ChEBI
Last Modified
24 October 2013