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CHEBI:60381 - α-D-Kdo-(2→4)-α-D-Kdo-(2→4)-α-D-Kdo-(2→6)-β-D-GlcNAc-4P-(1→6)-α-D-GlcNAc

ChEBI IDCHEBI:60381
ChEBI Nameα-D-Kdo-(2→4)-α-D-Kdo-(2→4)-α-D-Kdo-(2→6)-β-D-GlcNAc-4P-(1→6)-α-D-GlcNAc
Stars
ASCII Namealpha-D-Kdo-(2->4)-alpha-D-Kdo-(2->4)-alpha-D-Kdo-(2->6)-beta-D-GlcNAc-4P-(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, with one phosphate group attached.
Last Modified20 May 2020
SubmitterSteve
DownloadsMolfile
FormulaC40H65N2O35P
Net Charge0
Average Mass1164.913
Monoisotopic Mass1164.31055
SMILES[H][C@]1([C@H](O)CO)O[C@@](O[C@@H]2C[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]4OP(=O)(O)O)(C(=O)O)O[C@]([H])([C@H](O)CO)[C@@H]3O)(C(=O)O)O[C@]([H])([C@H](O)CO)[C@@H]2O)(C(=O)O)C[C@@H](O)[C@H]1O
InChIInChI=1S/C40H65N2O35P/c1-11(46)41-21-27(56)24(53)19(70-33(21)58)9-68-34-22(42-12(2)47)28(57)32(77-78(65,66)67)20(71-34)10-69-38(35(59)60)4-17(25(54)30(74-38)15(50)7-44)73-40(37(63)64)5-18(26(55)31(76-40)16(51)8-45)72-39(36(61)62)3-13(48)23(52)29(75-39)14(49)6-43/h13-34,43-45,48-58H,3-10H2,1-2H3,(H,41,46)(H,42,47)(H,59,60)(H,61,62)(H,63,64)(H2,65,66,67)/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
InChIKeyUAQWULMIRVNUIZ-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→4)-α-D-Kdo-(2→4)-α-D-Kdo-(2→6)-β-D-GlcNAc-4P-(1→6)-α-D-GlcNAc (CHEBI:60381) has role epitope (CHEBI:53000)
α-D-Kdo-(2→4)-α-D-Kdo-(2→4)-α-D-Kdo-(2→6)-β-D-GlcNAc-4P-(1→6)-α-D-GlcNAc (CHEBI:60381) is a amino pentasaccharide (CHEBI:59268)
α-D-Kdo-(2→4)-α-D-Kdo-(2→4)-α-D-Kdo-(2→6)-β-D-GlcNAc-4P-(1→6)-α-D-GlcNAc (CHEBI:60381) is a glucosamine oligosaccharide (CHEBI:22485)
α-D-Kdo-(2→4)-α-D-Kdo-(2→4)-α-D-Kdo-(2→6)-β-D-GlcNAc-4P-(1→6)-α-D-GlcNAc (CHEBI:60381) is a oligosaccharide phosphate (CHEBI:16916)
IUPAC Name 
3-deoxy-α-D-manno-oct-2-ulopyranonosyl-(2→4)-3-deoxy-α-D-manno-oct-2-ulopyranonosyl-(2→4)-3-deoxy-α-D-manno-oct-2-ulopyranonosyl-(2→6)-2-acetamido-2-deoxy-4-O-phosphono-β-D-glucopyranosyl-(1→6)-2-acetamido-2-deoxy-1-α-D-glucopyranose
Synonym  Source
Kdo(2→4)Kdo(2→4)Kdo(2→6)GlcNAc4P(1→6)GlcNAcolChEBI
Citations