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CHEBI:60366 - 1-(3-O-sulfo-β-D-galactosyl)-N-palmitoylsphingosine

Default Structure
ChEBI IDCHEBI:60366
ChEBI Name1-(3-O-sulfo-β-D-galactosyl)-N-palmitoylsphingosine
Stars
ASCII Name1-(3-O-sulfo-beta-D-galactosyl)-N-palmitoylsphingosine
DefinitionA D-galactosyl-N-acylsphingosine having a sulfo group at the 3-position on the galactose ring and palmitoyl as the N-acyl group.
Last Modified31 January 2013
SubmitterSteve
DownloadsMolfile
FormulaC40H77NO11S
Net Charge0
Average Mass780.119
Monoisotopic Mass779.52173
SMILESCCCCCCCCCCCCC/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)CCCCCCCCCCCCCCC
InChIInChI=1S/C40H77NO11S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(43)33(32-50-40-38(46)39(52-53(47,48)49)37(45)35(31-42)51-40)41-36(44)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27,29,33-35,37-40,42-43,45-46H,3-26,28,30-32H2,1-2H3,(H,41,44)(H,47,48,49)/b29-27+/t33-,34+,35+,37-,38+,39-,40+/m0/s1
InChIKeyCJGVDSGIQZDLDO-PHLJAKBWSA-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-palmitoylsphingosine (CHEBI:60366) is a N-acyl-β-D-galactosylsphingosine (CHEBI:18390)
1-(3-O-sulfo-β-D-galactosyl)-N-palmitoylsphingosine (CHEBI:60366) is a galactosylceramide sulfate (CHEBI:18318)
IUPAC Name 
N-{(2S,3R,4E)-3-hydroxy-1-[(3-O-sulfo-β-D-galactopyranosyl)oxy]octadec-4-en-2-yl}hexadecanamide
Synonyms  Source
1-(3-O-sulfo-β-D-galactosyl)-N-hexadecanoylsphingosineChEBI
(3'-sulfo)Galβ-Cer(d18:1/16:0)LIPID MAPS
C16 SulfatideLIPID MAPS
sulfatide C16:0ChEBI
Manual XrefsDatabases
HMDB0012313HMDB
LMSP06020002LIPID MAPS
Citations