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

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

ChEBI ID	CHEBI:45644
ChEBI Name	1-(3-O-sulfo-β-D-galactosyl)-N-stearoylsphingosine
Stars
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.
Last Modified	31 December 2016
Downloads	Molfile

Formula	C42H81NO11S
Net Charge	0
Average Mass	808.173
Monoisotopic Mass	807.55303
SMILES	CCCCCCCCCCCCC/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)CCCCCCCCCCCCCCCCC
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

Roles Classification

Biological Roles:

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.

mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).

human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).

ChEBI Ontology

Outgoing Relation(s)
	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 Relation(s)
Incoming Relation(s)	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 Xrefs	Databases
1ONQ	PDB

Registry Numbers	Sources
Beilstein:1416971	Beilstein

Citations