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CHEBI:83874 - N-stearoyl-(3-O-sulfo-D-galactosyl)sphingosine(1−)

ChEBI IDCHEBI:83874
ChEBI NameN-stearoyl-(3-O-sulfo-D-galactosyl)sphingosine(1−)
Stars
ASCII NameN-stearoyl-(3-O-sulfo-D-galactosyl)sphingosine(1-)
DefinitionAn N-acyl-(3-O-sulfo-D-galactosyl)sphingosine(1−) obtained by deprotonation of the sulfo group of N-stearoyl-(3-O-sulfo-D-galactosyl)sphingosine; major species at pH 7.3.
Last Modified13 February 2015
Submitterlaimo
DownloadsMolfile
FormulaC42H80NO11S
Net Charge-1
Average Mass807.165
Monoisotopic Mass806.54576
SMILESCCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](COC1O[C@H](CO)[C@H](O)[C@H](OS(=O)(=O)[O-])[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCC
InChIInChI=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)/p-1/b31-29+/t35-,36+,37+,39-,40+,41-,42?/m0/s1
InChIKeyGQQZXRPXBDJABR-DKPAJCBTSA-M
ChEBI Ontology
Outgoing Relation(s)
N-stearoyl-(3-O-sulfo-D-galactosyl)sphingosine(1−) (CHEBI:83874) is a N-acyl-(3-O-sulfo-D-galactosyl)sphingosine(1−) (CHEBI:83875)
IUPAC Name 
(2S,3R,4E)-3-hydroxy-2-(octadecanoylamino)octadec-4-en-1-yl 3-O-sulfonato-D-galactopyranoside
Synonyms  Source
(3O-sulfo-D-galactosyl)-N-octadecanoylsphing-4-enine(1−)SUBMITTER
C18 galactosylceramide sulfateSUBMITTER
C18 sulfatideSUBMITTER
UniProt Name  Source
N-(octadecanoyl)-(3O-sulfo-D-galactosyl)-sphing-4-enineUniProt