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CHEBI:83901 - N-(2-hydroxybehenoyl)-(3-O-sulfo-D-galactosyl)sphingosine(1−)

ChEBI IDCHEBI:83901
ChEBI NameN-(2-hydroxybehenoyl)-(3-O-sulfo-D-galactosyl)sphingosine(1−)
Stars
ASCII NameN-(2-hydroxybehenoyl)-(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-(2-hydroxybehenoyl)-(3-O-sulfo-D-galactosyl)sphingosine; major species at pH 7.3.
Last Modified13 February 2015
Submitterlaimo
DownloadsMolfile
FormulaC46H88NO12S
Net Charge-1
Average Mass879.272
Monoisotopic Mass878.60327
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)C(O)CCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C46H89NO12S/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-35-40(50)45(53)47-38(39(49)34-32-30-28-26-24-22-16-14-12-10-8-6-4-2)37-57-46-43(52)44(59-60(54,55)56)42(51)41(36-48)58-46/h32,34,38-44,46,48-52H,3-31,33,35-37H2,1-2H3,(H,47,53)(H,54,55,56)/p-1/b34-32+/t38-,39+,40?,41+,42-,43+,44-,46?/m0/s1
InChIKeySONRUZAYRBQUDC-TXPLRHQBSA-M
ChEBI Ontology
Outgoing Relation(s)
N-(2-hydroxybehenoyl)-(3-O-sulfo-D-galactosyl)sphingosine(1−) (CHEBI:83901) is a N-acyl-(3-O-sulfo-D-galactosyl)sphingosine(1−) (CHEBI:83875)
IUPAC Name 
(2S,3R,4E)-3-hydroxy-2-[(2-hydroxydocosanoyl)amino]octadec-4-en-1-yl 3-O-sulfonato-D-galactopyranoside
Synonyms  Source
3-O-sulfo-D-galactosyl-N-(2-hydroxydocosanoyl)sphing-4-enineSUBMITTER
2-OH-C22 galactosylceramide sulfateSUBMITTER
UniProt Name  Source
N-(2-hydroxy-docosanoyl)-(3-O-sulfo-D-galactosyl)-sphing-4-enineUniProt