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CHEBI:62642 - β-D-Glc-(1→4)-[β-D-Glc-(1→3)]-[α-D-Glc-(1→2)-β-D-Glc-(1→6)]-α-D-Glc-(1→5)-[α-D-Kdo-(2→4)]-α-D-Kdo-(2→6)-β-D-GlcN4P-(1→6)-α-D-GlcN-1P

ChEBI IDCHEBI:62642
ChEBI Nameβ-D-Glc-(1→4)-[β-D-Glc-(1→3)]-[α-D-Glc-(1→2)-β-D-Glc-(1→6)]-α-D-Glc-(1→5)-[α-D-Kdo-(2→4)]-α-D-Kdo-(2→6)-β-D-GlcN4P-(1→6)-α-D-GlcN-1P
Stars
ASCII Namebeta-D-Glc-(1->4)-[beta-D-Glc-(1->3)]-[alpha-D-Glc-(1->2)-beta-D-Glc-(1->6)]-alpha-D-Glc-(1->5)-[alpha-D-Kdo-(2->4)]-alpha-D-Kdo-(2->6)-beta-D-GlcN4P-(1->6)-alpha-D-GlcN-1P
DefinitionA nine-membered branched glucosamine oligosaccharide made up from five glucose, two Kdo and two glucosamine residues bearing two phospho substituents. Corresponds to a truncated inner core part of Moraxella catarrhalis lipopolysaccharide (LPS).
Last Modified1 August 2011
SubmitterSteve
DownloadsMolfile
FormulaC58H100N2O54P2
Net Charge0
Average Mass1751.346
Monoisotopic Mass1750.46156
SMILES[H][C@]1([C@H](O)CO)O[C@@](O[C@@H]2C[C@](OC[C@H]3O[C@@H](OC[C@H]4O[C@H](OP(=O)(O)O)[C@H](N)[C@@H](O)[C@@H]4O)[C@H](N)[C@@H](O)[C@@H]3OP(=O)(O)O)(C(=O)O)O[C@]([H])([C@H](O)CO)[C@@H]2O[C@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O)(C(=O)O)C[C@@H](O)[C@H]1O
InChIInChI=1S/C58H100N2O54P2/c59-23-31(76)30(75)20(103-49(23)114-116(93,94)95)9-96-48-24(60)32(77)43(113-115(90,91)92)22(104-48)11-98-57(55(86)87)2-15(110-58(56(88)89)1-12(67)25(70)41(111-58)13(68)3-61)44(42(112-57)14(69)4-62)106-53-40(85)46(108-51-38(83)34(79)27(72)17(6-64)100-51)45(107-50-37(82)33(78)26(71)16(5-63)99-50)21(105-53)10-97-54-47(36(81)29(74)19(8-66)102-54)109-52-39(84)35(80)28(73)18(7-65)101-52/h12-54,61-85H,1-11,59-60H2,(H,86,87)(H,88,89)(H2,90,91,92)(H2,93,94,95)/t12-,13-,14-,15-,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-,41-,42-,43-,44-,45+,46+,47-,48-,49-,50+,51+,52-,53-,54-,57-,58-/m1/s1
InChIKeyPKKVBYHIVSUKDN-GSTFRGTQSA-N
ChEBI Ontology
Outgoing Relation(s)
β-D-Glc-(1→4)-[β-D-Glc-(1→3)]-[α-D-Glc-(1→2)-β-D-Glc-(1→6)]-α-D-Glc-(1→5)-[α-D-Kdo-(2→4)]-α-D-Kdo-(2→6)-β-D-GlcN4P-(1→6)-α-D-GlcN-1P (CHEBI:62642) is a glucosamine oligosaccharide (CHEBI:22485)
β-D-Glc-(1→4)-[β-D-Glc-(1→3)]-[α-D-Glc-(1→2)-β-D-Glc-(1→6)]-α-D-Glc-(1→5)-[α-D-Kdo-(2→4)]-α-D-Kdo-(2→6)-β-D-GlcN4P-(1→6)-α-D-GlcN-1P (CHEBI:62642) is a oligosaccharide phosphate (CHEBI:16916)
IUPAC Name 
3-deoxy-α-D-manno-oct-2-ulopyranonosyl-(2→4)-[β-D-glucopyranosyl-(1→3)-[β-D-glucopyranosyl-(1→4)]-[α-D-glucopyranosyl-(1→2)-β-D-glucopyranosyl-(1→6)]-α-D-gulopyranosyl-(1→5)]-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
Synonym  Source
β-Glc-(1→4)-[β-Glc-(1→3)]-[α-Glc-(1→2)-β-Glc-(1→6)]-α-Glc-(1→5)-[α-Kdo-(2→4)]-α-Kdo-(2→6)-β-GlcN4P-(1→6)-α-GlcN-1PChEBI
Citations