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CHEBI:83890 - N-icosanoyl-(3-O-sulfo-D-galactosyl)sphingosine(1−)

ChEBI IDCHEBI:83890
ChEBI NameN-icosanoyl-(3-O-sulfo-D-galactosyl)sphingosine(1−)
Stars
ASCII NameN-icosanoyl-(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-icosanoyl-(3-O-sulfo-D-galactosyl)sphingosine; major species at pH 7.3.
Last Modified13 February 2015
Submitterlaimo
DownloadsMolfile
FormulaC44H84NO11S
Net Charge-1
Average Mass835.219
Monoisotopic Mass834.57706
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)CCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C44H85NO11S/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-40(48)45-37(38(47)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2)36-54-44-42(50)43(56-57(51,52)53)41(49)39(35-46)55-44/h31,33,37-39,41-44,46-47,49-50H,3-30,32,34-36H2,1-2H3,(H,45,48)(H,51,52,53)/p-1/b33-31+/t37-,38+,39+,41-,42+,43-,44?/m0/s1
InChIKeyAURCBSWGPREGRQ-AQNFZCBMSA-M
ChEBI Ontology
Outgoing Relation(s)
N-icosanoyl-(3-O-sulfo-D-galactosyl)sphingosine(1−) (CHEBI:83890) is a N-acyl-(3-O-sulfo-D-galactosyl)sphingosine(1−) (CHEBI:83875)
IUPAC Name 
(2S,3R,4E)-3-hydroxy-2-(icosanoylamino)octadec-4-en-1-yl 3-O-sulfonato-D-galactopyranoside
Synonyms  Source
3-O-sulfo-D-galactosyl-N-eicosanoylsphing-4-enine(1−)SUBMITTER
C20 galactosylceramide sulfateSUBMITTER
N-eicosanoyl-(3-O-sulfo-D-galactosyl)sphingosine(1−)ChEBI
3-O-sulfo-D-galactosyl-N-icosanoylsphing-4-enine(1−)ChEBI
UniProt Name  Source
N-(eicosanoyl)-(3-O-sulfo-D-galactosyl)-sphing-4-enineUniProt