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CHEBI:139139 - 1-(3-O-sulfo-β-D-galactosyl)-N-[(15Z)-tetracos-15-enoyl]sphingosine(1−)

ChEBI IDCHEBI:139139
ChEBI Name1-(3-O-sulfo-β-D-galactosyl)-N-[(15Z)-tetracos-15-enoyl]sphingosine(1−)
Stars
ASCII Name1-(3-O-sulfo-beta-D-galactosyl)-N-[(15Z)-tetracos-15-enoyl]sphingosine(1-)
DefinitionA galactosylceramide sulfate(1−) that is the conjugate base of 1-(3-O-sulfo-β-D-galactosyl)-N-[(15Z)-tetracos-15-enoyl]sphingosine obtained by deprotonation of the sulfate group; major species at pH 7.3.
Last Modified29 January 2018
Submitternhn
DownloadsMolfile
FormulaC48H90NO11S
Net Charge-1
Average Mass889.311
Monoisotopic Mass888.62401
SMILESCCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OS(=O)(=O)[O-])[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC
InChIInChI=1S/C48H91NO11S/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-44(52)49-41(42(51)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2)40-58-48-46(54)47(60-61(55,56)57)45(53)43(39-50)59-48/h17-18,35,37,41-43,45-48,50-51,53-54H,3-16,19-34,36,38-40H2,1-2H3,(H,49,52)(H,55,56,57)/p-1/b18-17-,37-35+/t41-,42+,43+,45-,46+,47-,48+/m0/s1
InChIKeyZZQWQNAZXFNSEP-JCOQVFCVSA-M
ChEBI Ontology
Outgoing Relation(s)
1-(3-O-sulfo-β-D-galactosyl)-N-[(15Z)-tetracos-15-enoyl]sphingosine(1−) (CHEBI:139139) is a β-D-galactosylceramide sulfate(1−) (CHEBI:75956)
1-(3-O-sulfo-β-D-galactosyl)-N-[(15Z)-tetracos-15-enoyl]sphingosine(1−) (CHEBI:139139) is conjugate base of 1-(3-O-sulfo-β-D-galactosyl)-N-[(15Z)-tetracos-15-enoyl]sphingosine (CHEBI:41539)
Incoming Relation(s)
1-(3-O-sulfo-β-D-galactosyl)-N-[(15Z)-tetracos-15-enoyl]sphingosine (CHEBI:41539) is conjugate acid of 1-(3-O-sulfo-β-D-galactosyl)-N-[(15Z)-tetracos-15-enoyl]sphingosine(1−) (CHEBI:139139)
IUPAC Name 
(2S,3R,4E)-3-hydroxy-2-{[(15Z)-tetracos-15-enoyl]amino}octadec-4-en-1-yl 3-O-sulfonato-β-D-galactopyranoside
Synonym  Source
3-O-sulfogalactosylceramide (d18:1/24:1(15Z))(1−)SUBMITTER
UniProt Name  Source
1-(3-O-sulfo-β-D-galactosyl)-N-[(15Z)-tetracos-15-enoyl]octadecasphing-4-enineUniProt
Citations