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CHEBI:177877 - α-D-GlcpNAc-(1→4)-β-D-Manp2NAc3NAcA-(1→3)-β-L-FucpNAc4NMe-(1→6)-[L-α-D-Hepp-(1→4)]-D-Manf2,5anh

ChEBI IDCHEBI:177877
ChEBI Nameα-D-GlcpNAc-(1→4)-β-D-Manp2NAc3NAcA-(1→3)-β-L-FucpNAc4NMe-(1→6)-[L-α-D-Hepp-(1→4)]-D-Manf2,5anh
Stars
ASCII Namealpha-D-GlcpNAc-(1->4)-beta-D-Manp2NAc3NAcA-(1->3)-beta-L-FucpNAc4NMe-(1->6)-[L-alpha-D-Hepp-(1->4)]-D-Manf2,5anh
DefinitionA pentasaccharide derivative that comprises the distal pentasaccharide of the oligosaccharide segment of Bordetella pertussis strain 186 lipooligosaccharide.
Last Modified20 August 2021
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC40H65N5O25
Net Charge0
Average Mass1015.970
Monoisotopic Mass1015.39686
SMILES[H][C@]1([C@@H](O)CO)OC(O[C@H]2[C@H](O)[C@@H](C=O)O[C@@H]2CO[C@H]2O[C@H](C)[C@@H](NC)[C@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](OC4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H](NC(C)=O)[C@@H]3NC(C)=O)[C@H]2NC(C)=O)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C40H65N5O25/c1-11-20(41-6)33(24(45-15(5)52)37(63-11)62-10-19-32(26(55)18(9-48)64-19)67-40-30(59)28(57)29(58)31(66-40)16(53)7-46)68-38-22(43-13(3)50)21(42-12(2)49)34(35(70-38)36(60)61)69-39-23(44-14(4)51)27(56)25(54)17(8-47)65-39/h9,11,16-35,37-41,46-47,53-59H,7-8,10H2,1-6H3,(H,42,49)(H,43,50)(H,44,51)(H,45,52)(H,60,61)/t11-,16+,17-,18-,19-,20-,21-,22+,23-,24-,25-,26-,27-,28+,29+,30+,31-,32-,33+,34+,35+,37+,38-,39?,40?/m1/s1
InChIKeyBNPXKWLAEOGFQN-DKFHIHMTSA-N
ChEBI Ontology
Outgoing Relation(s)
α-D-GlcpNAc-(1→4)-β-D-Manp2NAc3NAcA-(1→3)-β-L-FucpNAc4NMe-(1→6)-[L-α-D-Hepp-(1→4)]-D-Manf2,5anh (CHEBI:177877) is a pentasaccharide derivative (CHEBI:63566)
IUPAC Name 
2-acetamido-2-deoxy-D-glucopyranosyl-(1→4)-2,3-diacetamido-2,3-dideoxy-β-Dmannopyranuronosyl-(1→3)-2-acetamido-2,4,6-trideoxy-4-(methylamino)-α-D-glucopyranosyl-(1→6)-[L-glycero-D-manno-heptopyranosyl-(1→4)]-2,5-anhydro-D-mannose
Synonyms  Source
2-acetamido-2-deoxy-D-glucosyl-(1→4)-2,3-diacetamido-2,3-dideoxy-β-D-mannuronosyl-(1→3)-2-acetamido-2,4,6-trideoxy-4-(methylamino)-α-D-glucosyl-(1→6)-[L-glycero-D-manno-heptosyl-(1→4)]-2,5-anhydro-D-mannoseChEBI
N-acetyl-α-D-glucosaminyl-(1→4)-2,3-diacetamido-2,3-dideoxy-β-D-mannuronosyl-(1→3)-N-acetyl-4,6-dideoxy-4-(methylamino)-α-D-glucosaminyl-(1→6)-[L-glycero-D-manno-heptopyranosyl-(1→4)]-2,5-anhydro-D-mannoseChEBI
Citations