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CHEBI:65146 - 3,6-di-O-sulfo-β-D-galactosyl-(1→4)-6-O-sulfo-N-acetyl-β-D-glucosamine

Default Structure
ChEBI IDCHEBI:65146
ChEBI Name3,6-di-O-sulfo-β-D-galactosyl-(1→4)-6-O-sulfo-N-acetyl-β-D-glucosamine
Stars
ASCII Name3,6-di-O-sulfo-beta-D-galactosyl-(1->4)-6-O-sulfo-N-acetyl-beta-D-glucosamine
DefinitionAn amino disaccharide that consists of 6-O-sulfo-N-acetyl-β-D-glucosamine having a 3,6-di-O-sulfo-β-D-galactosyl residue attached at position 4.
Last Modified5 April 2024
SubmitterSteve
DownloadsMolfile
FormulaC14H25NO20S3
Net Charge0
Average Mass623.542
Monoisotopic Mass623.01321
SMILESCC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](COS(=O)(=O)O)[C@H](O)[C@H](OS(=O)(=O)O)[C@H]2O)[C@@H](COS(=O)(=O)O)O[C@H]1O
InChIInChI=1S/C14H25NO20S3/c1-4(16)15-7-9(18)11(6(32-13(7)20)3-31-37(24,25)26)34-14-10(19)12(35-38(27,28)29)8(17)5(33-14)2-30-36(21,22)23/h5-14,17-20H,2-3H2,1H3,(H,15,16)(H,21,22,23)(H,24,25,26)(H,27,28,29)/t5-,6-,7-,8+,9-,10-,11-,12+,13-,14+/m1/s1
InChIKeyUBBGYKCAGAYPLF-ZPXFZQJSSA-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)
3,6-di-O-sulfo-β-D-galactosyl-(1→4)-6-O-sulfo-N-acetyl-β-D-glucosamine (CHEBI:65146) has role epitope (CHEBI:53000)
3,6-di-O-sulfo-β-D-galactosyl-(1→4)-6-O-sulfo-N-acetyl-β-D-glucosamine (CHEBI:65146) is a amino disaccharide (CHEBI:22480)
3,6-di-O-sulfo-β-D-galactosyl-(1→4)-6-O-sulfo-N-acetyl-β-D-glucosamine (CHEBI:65146) is a oligosaccharide sulfate (CHEBI:37909)
IUPAC Name 
3,6-di-O-sulfo-β-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-6-O-sulfo-β-glucopyranose
Synonyms  Source
2-acetamido-2-deoxy-4-O-(3,6-di-O-sulfo-β-galactopyranosyl)-6-O-sulfo-β-glucopyranoseIUPAC
2-(acetylamino)-2-deoxy-4-O-(3,6-di-O-sulfo-β-D-galactopyranosyl)-β-D-glucopyranose, 6-(hydrogen sulfate)ChEBI
3,6-di-O-sulfo-β-D-Gal-(1→4)-6-O-sulfo-β-D-GlcNAcChEBI
3,6-di-O-sulfo-β-D-Galp-(1→4)-6-O-sulfo-β-D-GlcpNAcChEBI
[3OSO3][6OSO3]Galβ1-4[6OSO3]GlcNAcβChEBI
6S(3S)Galb1-4GlcNAcbChEBI
Citations