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CHEBI:65120 - β-D-GlcpNAc6S-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc

ChEBI IDCHEBI:65120
ChEBI Nameβ-D-GlcpNAc6S-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc
Stars
ASCII Namebeta-D-GlcpNAc6S-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc
DefinitionAn amino trisaccharide comprised of an 6-sulfated N-acetylglucosamine residue linked β(1→3) to a galactose residue, which is itself linked β(1→4) to an N-acetylglucosamine residue.
Last Modified11 March 2020
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC22H38N2O19S
Net Charge0
Average Mass666.608
Monoisotopic Mass666.17895
SMILESCC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](COS(=O)(=O)O)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@@H](CO)O[C@H]1O
InChIInChI=1S/C22H38N2O19S/c1-6(27)23-11-16(32)18(9(4-26)39-20(11)34)42-22-17(33)19(14(30)8(3-25)40-22)43-21-12(24-7(2)28)15(31)13(29)10(41-21)5-38-44(35,36)37/h8-22,25-26,29-34H,3-5H2,1-2H3,(H,23,27)(H,24,28)(H,35,36,37)/t8-,9-,10-,11-,12-,13-,14+,15-,16-,17-,18-,19+,20-,21+,22+/m1/s1
InChIKeyWPBMSLVPSZDYOZ-XFZXOASTSA-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)
β-D-GlcpNAc6S-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc (CHEBI:65120) has role epitope (CHEBI:53000)
β-D-GlcpNAc6S-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc (CHEBI:65120) is a amino trisaccharide (CHEBI:59266)
β-D-GlcpNAc6S-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc (CHEBI:65120) is a oligosaccharide sulfate (CHEBI:37909)
IUPAC Name 
2-acetamido-2-deoxy-6-O-sulfo-β-D-glucopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranose
Synonyms  Source
N-acetyl-6-O-sulfo-β-D-glucosaminyl-(1→3)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosamineChEBI
(6SO3)GlcNAcβ1-3Galβ1-4GlcNAcβChEBI
β-D-GlcNAc6S-(1→3)-β-D-Gal-(1→4)-β-D-GlcNAcChEBI
(6S)GlcNAcb1-3Galb1-4GlcNAcbChEBI
KDNa2-3Galb1-4(Fuca1-3)GlcNAcChEBI
Citations