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CHEBI:72337 - 1-(3,6-di-O-sulfo-β-D-galactosyl)-N-lauroylsphingosine

ChEBI IDCHEBI:72337
ChEBI Name1-(3,6-di-O-sulfo-β-D-galactosyl)-N-lauroylsphingosine
Stars
ASCII Name1-(3,6-di-O-sulfo-beta-D-galactosyl)-N-lauroylsphingosine
DefinitionA D-galactosyl-N-acylsphingosine having sulfo groups at the 3- and 6-positions on the galactose ring and lauroyl (dodecanoyl) as the N-acyl group.
Last Modified9 June 2016
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC36H69NO14S2
Net Charge0
Average Mass804.075
Monoisotopic Mass803.41595
SMILESCCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[C@H]1O[C@H](COS(=O)(=O)O)[C@H](O)[C@H](OS(=O)(=O)O)[C@H]1O)NC(=O)CCCCCCCCCCC
InChIInChI=1S/C36H69NO14S2/c1-3-5-7-9-11-13-14-15-16-18-19-21-23-25-30(38)29(37-32(39)26-24-22-20-17-12-10-8-6-4-2)27-48-36-34(41)35(51-53(45,46)47)33(40)31(50-36)28-49-52(42,43)44/h23,25,29-31,33-36,38,40-41H,3-22,24,26-28H2,1-2H3,(H,37,39)(H,42,43,44)(H,45,46,47)/b25-23+/t29-,30+,31+,33-,34+,35-,36-/m0/s1
InChIKeyJBJSVLZKWGLXMO-FRTCEDQTSA-N
Roles Classification
Biological Roles:
epitope  The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
1-(3,6-di-O-sulfo-β-D-galactosyl)-N-lauroylsphingosine (CHEBI:72337) has role epitope (CHEBI:53000)
1-(3,6-di-O-sulfo-β-D-galactosyl)-N-lauroylsphingosine (CHEBI:72337) is a N-acyl-β-D-galactosylsphingosine (CHEBI:18390)
1-(3,6-di-O-sulfo-β-D-galactosyl)-N-lauroylsphingosine (CHEBI:72337) is a galactosylceramide sulfate (CHEBI:18318)
IUPAC Name 
N-{(2S,3R,4E)-1-[(3,6-di-O-sulfo-α-D-galactopyranosyl)oxy]-3-hydroxyoctadec-4-en-2-yl}dodecanamide
Synonyms  Source
C12:0-di-sulfatideChEBI
disulfate sulfatideChEBI
C12 Di-Sulfo Galactosyl(β) Ceramide (d18:1/12:0)ChEBI
Citations