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CHEBI:60391 - α-D-Kdo-(2→8)-[α-D-Kdo-(2→4)]-α-D-Kdo-(2→4)-α-D-Kdo-(2→6)-β-D-GlcNAc4P-(1→6)-α-D-GlcNAc

ChEBI IDCHEBI:60391
ChEBI Nameα-D-Kdo-(2→8)-[α-D-Kdo-(2→4)]-α-D-Kdo-(2→4)-α-D-Kdo-(2→6)-β-D-GlcNAc4P-(1→6)-α-D-GlcNAc
Stars
ASCII Namealpha-D-Kdo-(2->8)-[alpha-D-Kdo-(2->4)]-alpha-D-Kdo-(2->4)-alpha-D-Kdo-(2->6)-beta-D-GlcNAc4P-(1->6)-alpha-D-GlcNAc
DefinitionAn amino hexasaccharide epitope consisting of three 3-deoxy-D-manno-oct-2-ulose residues and two N-acetylglucosamine residues (one at the reducing end) in a branched sequence, with one phosphate group attached.
Last Modified11 October 2010
SubmitterSteve
DownloadsMolfile
FormulaC48H77N2O42P
Net Charge0
Average Mass1385.090
Monoisotopic Mass1384.36885
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]4OP(=O)(O)O)(C(=O)O)O[C@]([H])([C@H](O)CO)[C@@H]3O)(C(=O)O)C[C@@H](O[C@]3(C(=O)O)C[C@@H](O)[C@@H](O)[C@@]([H])([C@H](O)CO)O3)[C@H]2O)(C(=O)O)C[C@@H](O)[C@H]1O
InChIInChI=1S/C48H77N2O42P/c1-13(54)49-25-32(67)29(64)23(84-39(25)69)11-81-40-26(50-14(2)55)33(68)38(92-93(78,79)80)24(85-40)12-83-46(42(72)73)5-21(30(65)36(89-46)19(60)9-53)87-48(44(76)77)6-22(86-47(43(74)75)4-16(57)28(63)35(90-47)18(59)8-52)31(66)37(91-48)20(61)10-82-45(41(70)71)3-15(56)27(62)34(88-45)17(58)7-51/h15-40,51-53,56-69H,3-12H2,1-2H3,(H,49,54)(H,50,55)(H,70,71)(H,72,73)(H,74,75)(H,76,77)(H2,78,79,80)/t15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39+,40-,45-,46-,47-,48-/m1/s1
InChIKeyGKHKTRMPVHYCSJ-MRKOSLCGSA-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→4)-α-D-Kdo-(2→6)-β-D-GlcNAc4P-(1→6)-α-D-GlcNAc (CHEBI:60391) has role epitope (CHEBI:53000)
α-D-Kdo-(2→8)-[α-D-Kdo-(2→4)]-α-D-Kdo-(2→4)-α-D-Kdo-(2→6)-β-D-GlcNAc4P-(1→6)-α-D-GlcNAc (CHEBI:60391) is a glucosamine oligosaccharide (CHEBI:22485)
α-D-Kdo-(2→8)-[α-D-Kdo-(2→4)]-α-D-Kdo-(2→4)-α-D-Kdo-(2→6)-β-D-GlcNAc4P-(1→6)-α-D-GlcNAc (CHEBI:60391) 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→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-4-O-phosphono-β-D-glucopyranosyl-(1→6)-2-acetamido-2-deoxy-1-α-D-glucopyranose
Synonym  Source
Kdo(2→8)[Kdo(2→4)]Kdo(2→4)Kdo(2→6)GlcNAc4P(1→6)GlcNAcolChEBI
Citations