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CHEBI:59600 - α-D-Kdo-(2→4)-α-D-Kdo-(2→4)-α-D-Kdo-(2→6)-β-D-GlcN4P-(1→6)-α-D-GlcN1P

ChEBI IDCHEBI:59600
ChEBI Nameα-D-Kdo-(2→4)-α-D-Kdo-(2→4)-α-D-Kdo-(2→6)-β-D-GlcN4P-(1→6)-α-D-GlcN1P
Stars
ASCII Namealpha-D-Kdo-(2->4)-alpha-D-Kdo-(2->4)-alpha-D-Kdo-(2->6)-beta-D-GlcN4P-(1->6)-alpha-D-GlcN1P
DefinitionAn amino pentasaccharide antigen consisting of three 3-deoxy-D-manno-oct-2-ulose residues and two glucosamine residues (one at the reducing end) in a linear sequence, with two phosphate groups attached.
Last Modified13 March 2017
SubmitterSteve
DownloadsMolfile
FormulaC36H62N2O36P2
Net Charge0
Average Mass1160.818
Monoisotopic Mass1160.25575
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](OP(=O)(O)O)[C@H](N)[C@@H](O)[C@@H]5O)[C@H](N)[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/C36H62N2O36P2/c37-17-23(50)20(47)15(66-30(17)74-76(61,62)63)7-64-29-18(38)24(51)28(73-75(58,59)60)16(67-29)8-65-34(31(52)53)2-13(21(48)26(70-34)11(44)5-40)69-36(33(56)57)3-14(22(49)27(72-36)12(45)6-41)68-35(32(54)55)1-9(42)19(46)25(71-35)10(43)4-39/h9-30,39-51H,1-8,37-38H2,(H,52,53)(H,54,55)(H,56,57)(H2,58,59,60)(H2,61,62,63)/t9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,34-,35-,36-/m1/s1
InChIKeyVTCPBFLNTJDSQN-QHJNOUJISA-N
Roles Classification
Biological Role:
antigen  Any substance that stimulates an immune response in the body, such as through antibody production or by presentation to a T-cell receptor after binding to a major histocompability complex (MHC).
ChEBI Ontology
Outgoing Relation(s)
α-D-Kdo-(2→4)-α-D-Kdo-(2→4)-α-D-Kdo-(2→6)-β-D-GlcN4P-(1→6)-α-D-GlcN1P (CHEBI:59600) has role antigen (CHEBI:59132)
α-D-Kdo-(2→4)-α-D-Kdo-(2→4)-α-D-Kdo-(2→6)-β-D-GlcN4P-(1→6)-α-D-GlcN1P (CHEBI:59600) is a amino pentasaccharide (CHEBI:59268)
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-amino-2-deoxy-4-O-phosphono-β-D-glucopyranosyl-(1→6)-2-amino-2-deoxy-1-O-phosphono-α-D-glucopyranose
Synonyms  Source
3-deoxy-α-D-manno-oct-2-ulonosyl-(2→4)-3-deoxy-α-D-manno-oct-2-ulonosyl-(2→4)-3-deoxy-α-D-manno-oct-2-ulonosyl-(2→6)-2-amino-2-deoxy-4-O-phosphono-β-D-glucosyl-(1→6)-2-amino-2-deoxy-1-O-phosphono-α-D-glucoseChEBI
(GlcN)2 (Kdo)3 (P)2KEGG GLYCAN
α-D-Kdo-(2→4)-α-D-Kdo-(2→4)-α-D-Kdo-(2→6)-β-D-GlcpN4P-(1→6)-α-D-GlcpN1PIUPAC
α-D-Kdo-(2→4)-α-D-Kdo-(2→4)-α-D-Kdo-(2→6)-β-D-GlcN-4P-(1→6)-α-D-GlcN-1PChEBI
Kdoα2-4Kdoα2-4Kdoα2-6GlcβN4P1-6GlcαN1PChEBI
Manual XrefsDatabases
G05924KEGG GLYCAN
Citations