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

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

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ChEBI ID	CHEBI:76069
ChEBI Name	1-(3-O-sulfo-β-D-galactosyl)-N-[(2R)-2-hydroxylignoceroyl]sphingosine
Stars
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.
Last Modified	25 November 2019
Submitter	Steve
Downloads	Molfile

Formula	C48H93NO12S
Net Charge	0
Average Mass	908.334
Monoisotopic Mass	907.64185
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)[C@H](O)CCCCCCCCCCCCCCCCCCCCCC
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

Roles Classification

Biological Roles:

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-[(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 Relation(s)
Incoming Relation(s)	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
1-(3-O-sulfo-β-D-galactosyl)-N-[(2R)-2-hydroxytetracosanoyl]sphingosine
(2R)-2-hydroxy-N-{(2S,3R,4E)-3-hydroxy-1-[(3-O-sulfo-β-D-galactopyranosyl)oxy]octadec-4-en-2-yl}tetracosanamide

Synonyms	Source
2-hydroxytetracosanoyl sulfatide	ChEBI
2-hydroxytetracosanoylgalactosylceramide sulfate	ChEBI

Manual Xrefs	Databases
SFT	PDBeChem

Citations