1-(3-O-sulfo-beta-D-galactosyl)-N-[(15Z)-tetracos-15-enoyl]sphingosine (CHEBI:41539)

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CHEBI:41539 - 1-(3-O-sulfo-β-D-galactosyl)-N-[(15Z)-tetracos-15-enoyl]sphingosine

ChEBI ID	CHEBI:41539
ChEBI Name	1-(3-O-sulfo-β-D-galactosyl)-N-[(15Z)-tetracos-15-enoyl]sphingosine
Stars
ASCII Name	1-(3-O-sulfo-beta-D-galactosyl)-N-[(15Z)-tetracos-15-enoyl]sphingosine
Definition	An N-acyl-β-D-galactosylsphingosine having a sulfo group at the 3-position on the galactose ring and (15Z)-tetracos-15-enoyl as the N-acyl group.
Secondary ChEBI ID	CHEBI:59538
Last Modified	20 December 2016
Submitter	Steve
Downloads	Molfile

Formula	C48H91NO11S
Net Charge	0
Average Mass	890.319
Monoisotopic Mass	889.63128
SMILES	CCCCCCCC/C=C\CCCCCCCCCCCCCC(=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
InChI	InChI=1S/C48H91NO11S/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-44(52)49-41(42(51)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2)40-58-48-46(54)47(60-61(55,56)57)45(53)43(39-50)59-48/h17-18,35,37,41-43,45-48,50-51,53-54H,3-16,19-34,36,38-40H2,1-2H3,(H,49,52)(H,55,56,57)/b18-17-,37-35+/t41-,42+,43+,45-,46+,47-,48+/m0/s1
InChIKey	ZZQWQNAZXFNSEP-JCOQVFCVSA-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-[(15Z)-tetracos-15-enoyl]sphingosine (CHEBI:41539) has role epitope (CHEBI:53000)
	1-(3-O-sulfo-β-D-galactosyl)-N-[(15Z)-tetracos-15-enoyl]sphingosine (CHEBI:41539) is a N-acyl-β-D-galactosylsphingosine (CHEBI:18390)
	1-(3-O-sulfo-β-D-galactosyl)-N-[(15Z)-tetracos-15-enoyl]sphingosine (CHEBI:41539) is a galactosylceramide sulfate (CHEBI:18318)
	1-(3-O-sulfo-β-D-galactosyl)-N-[(15Z)-tetracos-15-enoyl]sphingosine (CHEBI:41539) is conjugate acid of 1-(3-O-sulfo-β-D-galactosyl)-N-[(15Z)-tetracos-15-enoyl]sphingosine(1−) (CHEBI:139139)
Incoming Relation(s)
Incoming Relation(s)	1-(3-O-sulfo-β-D-galactosyl)-N-[(15Z)-tetracos-15-enoyl]sphingosine(1−) (CHEBI:139139) is conjugate base of 1-(3-O-sulfo-β-D-galactosyl)-N-[(15Z)-tetracos-15-enoyl]sphingosine (CHEBI:41539)

IUPAC Name
(15Z)-N-{(2S,3R,4E)-3-hydroxy-1-[(3-O-sulfo-β-D-galactopyranosyl)oxy]octadec-4-en-2-yl}tetracos-15-enamide

Synonyms	Source
(15Z)-N-((1S,2R,3E)-2-HYDROXY-1-{[(3-O-SULFO-BETA-D-GALACTOPYRANOSYL)OXY]METHYL}HEPTADEC-3-ENYL)TETRACOS-15-ENAMIDE	PDBeChem
sulfatide C_24:1	ChEBI
C24:1 Sulfatide	LIPID MAPS
(3'-sulfo)Galβ-Cer(d18:1/24:1(15Z))	LIPID MAPS
3-O-Sulfogalactosylceramide (d18:1/24:1(15Z))	HMDB
3-O-sulfo-D-galactosyl-β1-1'-N-nervonoyl-D-erythro-sphingosine	ChEBI

Manual Xrefs	Databases
CIS	PDBeChem
2AKR	PDB
LMSP06020015	LIPID MAPS
HMDB0012318	HMDB

Citations