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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-(3-O-sulfo-β-D-galactosyl)-N-palmitoylsphingosine
ChEBI ID CHEBI:60366
ChEBI ASCII Name 1-(3-O-sulfo-beta-D-galactosyl)-N-palmitoylsphingosine
Definition A D-galactosyl-N-acylsphingosine having a sulfo group at the 3-position on the galactose ring and palmitoyl as the N-acyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C40H77NO11S
Net Charge 0
Average Mass 780.10400
Monoisotopic Mass 779.52173
InChI InChI=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
InChIKey CJGVDSGIQZDLDO-PHLJAKBWSA-N
SMILES CCCCCCCCCCCCCCCC(=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
Roles Classification
Biological Role(s): 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-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 Sources
(3'-sulfo)Galβ-Cer(d18:1/16:0) LIPID MAPS
1-(3-O-sulfo-β-D-galactosyl)-N-hexadecanoylsphingosine ChEBI
C16 Sulfatide LIPID MAPS
sulfatide C16:0 ChEBI
Manual Xrefs Databases
HMDB0012313 HMDB
LMSP06020002 LIPID MAPS
View more database links
Citations Waiting for Citations Types Sources
16314439 PubMed citation Europe PMC
22820602 PubMed citation Europe PMC
Last Modified
31 January 2013