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

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ChEBI Name 1-(3-O-sulfo-β-D-galactosyl)-N-[(15Z)-tetracos-15-enoyl]sphingosine(1−) ChEBI ID CHEBI:139139 ChEBI ASCII Name 1-(3-O-sulfo-beta-D-galactosyl)-N-[(15Z)-tetracos-15-enoyl]sphingosine(1-) Definition A 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. Stars This entity has been manually annotated by the ChEBI Team. Submitter Nevila Nouspikel Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C48H90NO11S Net Charge -1 Average Mass 889.296 Monoisotopic Mass 888.62401 InChI InChI=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 InChIKey ZZQWQNAZXFNSEP-JCOQVFCVSA-M SMILES C(=C/CCCCCCCCCCCCC)\[C@@H](O)[C@@H](NC(CCCCCCCCCCCCC/C=C\CCCCCCCC)=O)CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS([O-])(=O)=O)O ChEBI Ontology Outgoing 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 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 Synonyms Sources 1-(3-O-sulfo-β-D-galactosyl)-N-[(15Z)-tetracos-15-enoyl]octadecasphing-4-enine UniProt 3-O-sulfogalactosylceramide (d18:1/24:1(15Z))(1−) SUBMITTER Citation Type Source 22078563 PubMed citation SUBMITTER Last Modified 29 January 2018