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CHEBI:65145 - 3',4'-O-disulfo-N-acetyllactosamine

ChEBI IDCHEBI:65145
ChEBI Name3',4'-O-disulfo-N-acetyllactosamine
Stars
ASCII Name3',4'-O-disulfo-N-acetyllactosamine
DefinitionAn amino disaccharide that consists of N-acetyl-β-D-glucosamine having a 3,4-di-O-sulfo-β-D-galactosyl residue attached at position 4.
Last Modified19 February 2020
SubmitterSteve
DownloadsMolfile
FormulaC14H25NO17S2
Net Charge0
Average Mass543.478
Monoisotopic Mass543.05639
SMILESCC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]2O)[C@@H](CO)O[C@H]1O
InChIInChI=1S/C14H25NO17S2/c1-4(18)15-7-8(19)10(5(2-16)28-13(7)21)30-14-9(20)12(32-34(25,26)27)11(6(3-17)29-14)31-33(22,23)24/h5-14,16-17,19-21H,2-3H2,1H3,(H,15,18)(H,22,23,24)(H,25,26,27)/t5-,6-,7-,8-,9-,10-,11+,12-,13-,14+/m1/s1
InChIKeyBDEAGLPLJHLHOI-HTOUAXGPSA-N
Roles Classification
Biological Role:
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.
ChEBI Ontology
Outgoing Relation(s)
3',4'-O-disulfo-N-acetyllactosamine (CHEBI:65145) has role epitope (CHEBI:53000)
3',4'-O-disulfo-N-acetyllactosamine (CHEBI:65145) is a amino disaccharide (CHEBI:22480)
3',4'-O-disulfo-N-acetyllactosamine (CHEBI:65145) is a oligosaccharide sulfate (CHEBI:37909)
IUPAC Name 
3,4-di-O-sulfo-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranose
Synonyms  Source
3,4-di-O-sulfo-β-D-Gal-(1→4)-β-D-GlcNAcChEBI
3,4-di-O-sulfo-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosamineChEBI
3,4-di-O-sulfo-β-D-Galp-(1→4)-β-D-GlcpNAcChEBI
2-acetamido-2-deoxy-4-O-(3,4-di-O-sulfo-β-D-galactopyranosyl)-β-D-glucopyranoseIUPAC
3,4-di-O-sulfo-β-D-galactosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucoseChEBI
[3OSO3][4OSO3]Galβ-D1-4GlcNAcβ-DChEBI
Citations