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CHEBI:194350 - α-L-Fucp-(1→2)-β-D-Galp-(1→3)-β-D-GalpNAc-(1→3)-α-D-Galp-(1→4)-β-D-Galp6N3-(1→4)-β-D-Glcp

ChEBI IDCHEBI:194350
ChEBI Nameα-L-Fucp-(1→2)-β-D-Galp-(1→3)-β-D-GalpNAc-(1→3)-α-D-Galp-(1→4)-β-D-Galp6N3-(1→4)-β-D-Glcp
Stars
ASCII Namealpha-L-Fucp-(1->2)-beta-D-Galp-(1->3)-beta-D-GalpNAc-(1->3)-alpha-D-Galp-(1->4)-beta-D-Galp6N3-(1->4)-beta-D-Glcp
DefinitionAn amino hexasaccharide comprising α-L-fucosyl, β-D-galactosyl, N-acetyl-β-D-galactosaminyl, α-D-galactosyl, 6-azido-β-D-galactosyl and (at the reducing end) β-D-glucose residues linked sequentially (1→2), (1→3), (1→3), (1→4) and (1→4). An azido-globo H analogue, it can be conjugated to the diphtheria toxoid cross-reactive material CRM197 for vaccination with C34 adjuvant in mice.
Last Modified9 February 2023
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC38H64N4O29
Net Charge0
Average Mass1040.929
Monoisotopic Mass1040.36562
SMILESCC(=O)N[C@H]1[C@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@H](O[C@@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)O[C@@H]4CO)O[C@@H]3CN=[N+]=[N-])[C@@H]2O)O[C@H](CO)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C38H64N4O29/c1-8-16(48)20(52)25(57)35(61-8)71-32-21(53)17(49)11(4-43)66-38(32)69-30-15(41-9(2)47)34(64-12(5-44)18(30)50)70-31-19(51)13(6-45)65-37(27(31)59)67-28-10(3-40-42-39)63-36(26(58)23(28)55)68-29-14(7-46)62-33(60)24(56)22(29)54/h8,10-38,43-46,48-60H,3-7H2,1-2H3,(H,41,47)/t8-,10+,11+,12+,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-/m0/s1
InChIKeyDOPGYCJIVSAOTJ-DFDDAUIKSA-N
ChEBI Ontology
Outgoing Relation(s)
α-L-Fucp-(1→2)-β-D-Galp-(1→3)-β-D-GalpNAc-(1→3)-α-D-Galp-(1→4)-β-D-Galp6N3-(1→4)-β-D-Glcp (CHEBI:194350) has part azido group (CHEBI:36825)
α-L-Fucp-(1→2)-β-D-Galp-(1→3)-β-D-GalpNAc-(1→3)-α-D-Galp-(1→4)-β-D-Galp6N3-(1→4)-β-D-Glcp (CHEBI:194350) is a amino hexasaccharide (CHEBI:61855)
Incoming Relation(s)
α-L-Fucp-(1→2)-β-D-Galp-(1→3)-β-D-GalpNAc-(1→3)-α-D-Galp-(1→4)-β-D-Galp6N3-(1→4)-β-D-GlcpO[CH2]5NH2 (CHEBI:194361) has functional parent α-L-Fucp-(1→2)-β-D-Galp-(1→3)-β-D-GalpNAc-(1→3)-α-D-Galp-(1→4)-β-D-Galp6N3-(1→4)-β-D-Glcp (CHEBI:194350)
IUPAC Name 
α-L-fucopyranosyl-(1→2)-β-D-galactopyranosyl-(1→3)-2-acetamido-2-deoxy-β-D-galactopyranosyl-(1→3)-α-D-galactopyranosyl-(1→4)-6-deoxy-6-triazanyl-β-D-galactopyranosyl-(1→4)-β-D-glucopyranose
Synonyms  Source
α-L-Fuc-(1→2)-β-D-Gal-(1→3)-β-D-GalNAc-(1→3)-α-D-Gal-(1→4)-β-D-Gal6N3-(1→4)-β-D-GlcChEBI
6-deoxy-α-L-galactopyranosyl-(1→2)-β-D-galactopyranosyl-(1→3)-2-acetamido-2-deoxy-β-D-galactopyranosyl-(1→3)-α-D-galactopyranosyl-(1→4)-6-deoxy-6-triazanyl-β-D-galactopyranosyl-(1→4)-β-D-glucopyranoseIUPAC
α-L-fucosyl-(1→2)-β-D-galactosyl-(1→3)-N-acetyl-β-D-galactosaminyl-(1→3)-α-D-galactosyl-(1→4)-6-deoxy-6-azido-β-D-galactosyl-(1→4)-β-D-glucoseChEBI
Fucα1-2Galβ1-3GalNAcβ1-3Galα1-4Gal6N31-4GlcβIUPAC
Citations