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CHEBI:83902 - N-(2-hydroxytetracosanoyl)-(3-O-sulfo-D-galactosyl)sphingosine(1−)

ChEBI IDCHEBI:83902
ChEBI NameN-(2-hydroxytetracosanoyl)-(3-O-sulfo-D-galactosyl)sphingosine(1−)
Stars
ASCII NameN-(2-hydroxytetracosanoyl)-(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-hydroxytetracosanoyl)-(3-O-sulfo-D-galactosyl)sphingosine; major species at pH 7.3.
Last Modified13 February 2015
Submitterlaimo
DownloadsMolfile
FormulaC48H92NO12S
Net Charge-1
Average Mass907.326
Monoisotopic Mass906.63457
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)CCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C48H93NO12S/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-42(52)47(55)49-40(41(51)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2)39-59-48-45(54)46(61-62(56,57)58)44(53)43(38-50)60-48/h34,36,40-46,48,50-54H,3-33,35,37-39H2,1-2H3,(H,49,55)(H,56,57,58)/p-1/b36-34+/t40-,41+,42?,43+,44-,45+,46-,48?/m0/s1
InChIKeyQTTLKKFUOJQIRB-UDGPQZKOSA-M
ChEBI Ontology
Outgoing Relation(s)
N-(2-hydroxytetracosanoyl)-(3-O-sulfo-D-galactosyl)sphingosine(1−) (CHEBI:83902) is a N-acyl-(3-O-sulfo-D-galactosyl)sphingosine(1−) (CHEBI:83875)
IUPAC Name 
(2S,3R,4E)-3-hydroxy-2-[(2-hydroxtetracosanoyl)amino]octadec-4-en-1-yl 3-O-sulfonato-D-galactopyranoside
Synonyms  Source
3-O-sulfo-D-galactosyl-N-(2-hydroxylignoceroyl)sphing-4-enine(1−)SUBMITTER
2-OH-C24 galactosylceramide sulfateSUBMITTER
UniProt Name  Source
N-(2-hydroxy-tetracosanoyl)-(3-O-sulfo-D-galactosyl)-sphing-4-enineUniProt