CHEBI:45644 - 1-(3-O-sulfo-β-D-galactosyl)-N-stearoylsphingosine

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ChEBI Name 1-(3-O-sulfo-β-D-galactosyl)-N-stearoylsphingosine
ChEBI ID CHEBI:45644
ChEBI ASCII Name 1-(3-O-sulfo-beta-D-galactosyl)-N-stearoylsphingosine
Definition A N-acyl-β-D-galactosylsphingosine having a sulfo group at the 3-position on the galactose ring and stearoyl as the N-acyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C42H81NO11S
Net Charge 0
Average Mass 808.160
Monoisotopic Mass 807.55303
InChI InChI=1S/C42H81NO11S/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-38(46)43-35(36(45)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)34-52-42-40(48)41(54-55(49,50)51)39(47)37(33-44)53-42/h29,31,35-37,39-42,44-45,47-48H,3-28,30,32-34H2,1-2H3,(H,43,46)(H,49,50,51)/b31-29+/t35-,36+,37+,39-,40+,41-,42+/m0/s1
InChIKey GQQZXRPXBDJABR-BDZNYNMQSA-N
SMILES C(=C/CCCCCCCCCCCCC)\[C@@H](O)[C@@H](NC(CCCCCCCCCCCCCCCCC)=O)CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(O)(=O)=O)O
Roles Classification
Biological Role(s): epitope
The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.
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-stearoylsphingosine (CHEBI:45644) has role epitope (CHEBI:53000)
1-(3-O-sulfo-β-D-galactosyl)-N-stearoylsphingosine (CHEBI:45644) is a N-acyl-β-D-galactosylsphingosine (CHEBI:18390)
1-(3-O-sulfo-β-D-galactosyl)-N-stearoylsphingosine (CHEBI:45644) is a galactosylceramide sulfate (CHEBI:18318)
1-(3-O-sulfo-β-D-galactosyl)-N-stearoylsphingosine (CHEBI:45644) is conjugate acid of 1-(3-O-sulfo-β-D-galactosyl)-N-stearoylsphingosine(1−) (CHEBI:132301)
Incoming 1-(3-O-sulfo-β-D-galactosyl)-N-stearoylsphingosine(1−) (CHEBI:132301) is conjugate base of 1-(3-O-sulfo-β-D-galactosyl)-N-stearoylsphingosine (CHEBI:45644)
IUPAC Name
N-{(2S,3R,4E)-3-hydroxy-1-[(3-O-sulfo-β-D-galactopyranosyl)oxy]octadec-4-en-2-yl}octadecanamide
Synonym Source
C18:0-sulfatide ChEBI
Manual Xref Database
1ONQ PDB
View more database links
Registry Number Type Source
1416971 Beilstein Registry Number Beilstein
Citations Waiting for Citations Types Sources
12833155 PubMed citation Europe PMC
20100930 PubMed citation Europe PMC
Last Modified
31 December 2016