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CHEBI:132301 - 1-(3-O-sulfo-β-D-galactosyl)-N-stearoylsphingosine(1−)

ChEBI IDCHEBI:132301
ChEBI Name1-(3-O-sulfo-β-D-galactosyl)-N-stearoylsphingosine(1−)
Stars
ASCII Name1-(3-O-sulfo-beta-D-galactosyl)-N-stearoylsphingosine(1-)
DefinitionA galactosylceramide sulfate(1−) in which the ceramide N-acyl group is specified as stearoyl.
Last Modified20 October 2016
Submitternhn
DownloadsMolfile
FormulaC42H80NO11S
Net Charge-1
Average Mass807.165
Monoisotopic Mass806.54576
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)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-BDZNYNMQSA-M
ChEBI Ontology
Outgoing Relation(s)
1-(3-O-sulfo-β-D-galactosyl)-N-stearoylsphingosine(1−) (CHEBI:132301) is a β-D-galactosylceramide sulfate(1−) (CHEBI:75956)
1-(3-O-sulfo-β-D-galactosyl)-N-stearoylsphingosine(1−) (CHEBI:132301) is conjugate base of 1-(3-O-sulfo-β-D-galactosyl)-N-stearoylsphingosine (CHEBI:45644)
Incoming Relation(s)
1-(3-O-sulfo-β-D-galactosyl)-N-stearoylsphingosine (CHEBI:45644) is conjugate acid of 1-(3-O-sulfo-β-D-galactosyl)-N-stearoylsphingosine(1−) (CHEBI:132301)
IUPAC Name 
(2S,3R,4E)-3-hydroxy-2-(octadecanoylamino)octadec-4-en-1-yl 3-O-sulfonato-β-D-galactopyranoside
Synonyms  Source
C18:0 sulfatide(1−)SUBMITTER
1-(3-O-sulfo-β-D-galactosyl)-N-octadecanoylsphingosine(1−)ChEBI
1-(3-O-sulfo-β-D-galactosyl)-N-stearoylsphing-4-enine(1−)ChEBI
UniProt Name  Source
1-(3-O-sulfo-β-D-galactosyl)-N-octadecanoylsphing-4-enineUniProt
Citations