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CHEBI:233486 - α-D-GlcNAcp-(1→4)-β-D-(2,3-diNAc)ManAp-(1→3)-β-L-(4NMe)FucNAcp-(1→6)-[L-α-D-Hepp-(1→4)]-α-D-GlcNp

ChEBI IDCHEBI:233486
ChEBI Nameα-D-GlcNAcp-(1→4)-β-D-(2,3-diNAc)ManAp-(1→3)-β-L-(4NMe)FucNAcp-(1→6)-[L-α-D-Hepp-(1→4)]-α-D-GlcNp
Stars
ASCII Namealpha-D-GlcNAcp-(1->4)-beta-D-(2,3-diNAc)ManAp-(1->3)-beta-L-(4NMe)FucNAcp-(1->6)-[L-alpha-D-Hepp-(1->4)]-alpha-D-GlcNp
Last Modified13 February 2025
SubmitterAdnan
DownloadsMolfile
FormulaC40H68N6O25
Net Charge0
Average Mass1033.001
Monoisotopic Mass1032.42341
SMILES[H][C@]1([C@@H](O)CO)O[C@H](O[C@H]2[C@H](O)[C@@H](N)[C@@H](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](O[C@H]4O[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/C40H68N6O25/c1-10-19(42-6)32(23(46-14(5)52)37(64-10)63-9-17-31(25(55)18(41)36(62)65-17)68-40-29(59)27(57)28(58)30(67-40)15(53)7-47)69-38-21(44-12(3)50)20(43-11(2)49)33(34(71-38)35(60)61)70-39-22(45-13(4)51)26(56)24(54)16(8-48)66-39/h10,15-34,36-40,42,47-48,53-59,62H,7-9,41H2,1-6H3,(H,43,49)(H,44,50)(H,45,51)(H,46,52)(H,60,61)/t10-,15-,16+,17+,18+,19+,20+,21-,22+,23-,24+,25+,26+,27-,28-,29-,30+,31+,32+,33-,34-,36-,37-,38+,39+,40+/m0/s1
InChIKeyCKIHTXWKUFFNQD-XOACTKLYSA-N
Species of MetaboliteComponentSourceComments
Bordetella pertussis (ncbitaxon:520) - PubMed (39046578)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
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.
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
α-D-GlcNAcp-(1→4)-β-D-(2,3-diNAc)ManAp-(1→3)-β-L-(4NMe)FucNAcp-(1→6)-[L-α-D-Hepp-(1→4)]-α-D-GlcNp (CHEBI:233486) has role bacterial metabolite (CHEBI:76969)
α-D-GlcNAcp-(1→4)-β-D-(2,3-diNAc)ManAp-(1→3)-β-L-(4NMe)FucNAcp-(1→6)-[L-α-D-Hepp-(1→4)]-α-D-GlcNp (CHEBI:233486) has role epitope (CHEBI:53000)
α-D-GlcNAcp-(1→4)-β-D-(2,3-diNAc)ManAp-(1→3)-β-L-(4NMe)FucNAcp-(1→6)-[L-α-D-Hepp-(1→4)]-α-D-GlcNp (CHEBI:233486) is a acetamides (CHEBI:22160)
α-D-GlcNAcp-(1→4)-β-D-(2,3-diNAc)ManAp-(1→3)-β-L-(4NMe)FucNAcp-(1→6)-[L-α-D-Hepp-(1→4)]-α-D-GlcNp (CHEBI:233486) is a amino pentasaccharide (CHEBI:59268)
α-D-GlcNAcp-(1→4)-β-D-(2,3-diNAc)ManAp-(1→3)-β-L-(4NMe)FucNAcp-(1→6)-[L-α-D-Hepp-(1→4)]-α-D-GlcNp (CHEBI:233486) is a monocarboxylic acid (CHEBI:25384)
IUPAC Name 
2-acetamido-2-deoxy-α-D-glucopyranosyl-(1→4)-2,3-diacetamido-2,3-dideoxy-β-D-mannopyranuronosyl-(1→3)-2-acetamido-2,4,6-trideoxy-4-(methylamino)-β-L-galactopyranosyl-(1→6)-[L-glycero-α-D-manno-heptopyranosyl-(1→4)]-2-amino-2-deoxy-α-D-glucopyranose
Synonym  Source
α-D-GlcNAc-(1→4)-β-D-(2,3-diNAc)ManA-(1→3)-β-L-(4NMe)FucNAc-(1→6)-[L-α-D-Hep-(1→4)]-α-D-GlcNChEBI
Citations