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CHEBI:60483 - α-D-Kdo-(2→8)-α-D-Kdo-(2→4)-α-D-Kdo-(2→6)-β-D-GlcNAc-(1→6)-α-D-GlcNAc

ChEBI IDCHEBI:60483
ChEBI Nameα-D-Kdo-(2→8)-α-D-Kdo-(2→4)-α-D-Kdo-(2→6)-β-D-GlcNAc-(1→6)-α-D-GlcNAc
Stars
ASCII Namealpha-D-Kdo-(2->8)-alpha-D-Kdo-(2->4)-alpha-D-Kdo-(2->6)-beta-D-GlcNAc-(1->6)-alpha-D-GlcNAc
DefinitionAn amino pentasaccharide epitope consisting of three 3-deoxy-D-manno-oct-2-ulose residues and two N-acetylglucosamine residues (one at the reducing end) in a linear sequence.
Last Modified20 May 2020
SubmitterSteve
DownloadsMolfile
FormulaC40H64N2O32
Net Charge0
Average Mass1084.934
Monoisotopic Mass1084.34422
SMILES[H][C@]1([C@H](O)CO)O[C@@](OC[C@@H](O)[C@@]2([H])O[C@@](O[C@@H]3C[C@](OC[C@H]4O[C@@H](OC[C@H]5O[C@H](O)[C@H](NC(C)=O)[C@@H](O)[C@@H]5O)[C@H](NC(C)=O)[C@@H](O)[C@@H]4O)(C(=O)O)O[C@]([H])([C@H](O)CO)[C@@H]3O)(C(=O)O)C[C@@H](O)[C@H]2O)(C(=O)O)C[C@@H](O)[C@H]1O
InChIInChI=1S/C40H64N2O32/c1-11(45)41-21-28(57)25(54)19(69-33(21)59)9-66-34-22(42-12(2)46)29(58)26(55)20(70-34)10-68-39(36(62)63)5-18(27(56)31(73-39)16(50)7-44)71-40(37(64)65)4-14(48)24(53)32(74-40)17(51)8-67-38(35(60)61)3-13(47)23(52)30(72-38)15(49)6-43/h13-34,43-44,47-59H,3-10H2,1-2H3,(H,41,45)(H,42,46)(H,60,61)(H,62,63)(H,64,65)/t13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33+,34-,38-,39-,40-/m1/s1
InChIKeyKCXUZVRHYONTMK-HDORSMDSSA-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)
α-D-Kdo-(2→8)-α-D-Kdo-(2→4)-α-D-Kdo-(2→6)-β-D-GlcNAc-(1→6)-α-D-GlcNAc (CHEBI:60483) has role epitope (CHEBI:53000)
α-D-Kdo-(2→8)-α-D-Kdo-(2→4)-α-D-Kdo-(2→6)-β-D-GlcNAc-(1→6)-α-D-GlcNAc (CHEBI:60483) is a amino pentasaccharide (CHEBI:59268)
α-D-Kdo-(2→8)-α-D-Kdo-(2→4)-α-D-Kdo-(2→6)-β-D-GlcNAc-(1→6)-α-D-GlcNAc (CHEBI:60483) is a glucosamine oligosaccharide (CHEBI:22485)
IUPAC Name 
3-deoxy-α-D-manno-oct-2-ulopyranonosyl-(2→8)-3-deoxy-α-D-manno-oct-2-ulopyranonosyl-(2→4)-3-deoxy-α-D-manno-oct-2-ulopyranonosyl-(2→6)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→6)-2-acetamido-2-deoxy-1-α-D-glucopyranose
Citations