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CHEBI:83899 - N-docosanoyl-(3-O-sulfo-D-galactosyl)sphingosine(1−)

Default Structure
ChEBI IDCHEBI:83899
ChEBI NameN-docosanoyl-(3-O-sulfo-D-galactosyl)sphingosine(1−)
Stars
ASCII NameN-docosanoyl-(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-docosanoyl-(3-O-sulfo-D-galactosyl)sphingosine; major species at pH 7.3.
Last Modified13 February 2015
Submitterlaimo
DownloadsMolfile
FormulaC46H88NO11S
Net Charge-1
Average Mass863.273
Monoisotopic Mass862.60836
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)CCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C46H89NO11S/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-42(50)47-39(40(49)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2)38-56-46-44(52)45(58-59(53,54)55)43(51)41(37-48)57-46/h33,35,39-41,43-46,48-49,51-52H,3-32,34,36-38H2,1-2H3,(H,47,50)(H,53,54,55)/p-1/b35-33+/t39-,40+,41+,43-,44+,45-,46?/m0/s1
InChIKeyUAKYQMHTPLVMJD-UHCXOLDLSA-M
ChEBI Ontology
Outgoing Relation(s)
N-docosanoyl-(3-O-sulfo-D-galactosyl)sphingosine(1−) (CHEBI:83899) is a N-acyl-(3-O-sulfo-D-galactosyl)sphingosine(1−) (CHEBI:83875)
IUPAC Name 
(2S,3R,4E)-2-(docosanoylamino)-3-hydroxyoctadec-4-en-1-yl 3-O-sulfonato-D-galactopyranoside
Synonyms  Source
3-O-sulfo-D-galactosyl-N-(docosanoyl)-sphing-4-enine(1−)SUBMITTER
C22 galactosylceramide sulfateSUBMITTER
UniProt Name  Source
N-(docosanoyl)-(3-O-sulfo-D-galactosyl)-sphing-4-enineUniProt