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CHEBI:176880 - α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-α-D-GalpNAc

ChEBI IDCHEBI:176880
ChEBI Nameα-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-α-D-GalpNAc
Stars
ASCII Namealpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-alpha-D-GalpNAc
DefinitionA linear amino hexasaccharide comprising a (2→3), (1→4), (1→3), (1→4), (1→3) sequence of α-N-acetylneuramine, β-D-galactose, N-acetyl-β-D-glucosamine, β-D-galactose, N-acetyl-β-D-glucosamine and (at the reducing end) N-acetyl-α-D-galactosamine.
Last Modified21 July 2021
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC47H78N4O34
Net Charge0
Average Mass1243.135
Monoisotopic Mass1242.44975
SMILES[H][C@@]1([C@H](O)[C@H](O)CO)O[C@@](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@H]4[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]5[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@H]6[C@@H](O)[C@@H](CO)O[C@H](O)[C@@H]6NC(C)=O)O[C@@H]5CO)[C@@H]4O)O[C@@H]3CO)[C@@H]2O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
InChIInChI=1S/C47H78N4O34/c1-12(58)48-23-16(62)5-47(46(73)74,84-38(23)27(64)17(63)6-52)85-40-30(67)20(9-55)77-45(34(40)71)81-36-22(11-57)79-43(25(32(36)69)50-14(3)60)83-39-29(66)19(8-54)76-44(33(39)70)80-35-21(10-56)78-42(24(31(35)68)49-13(2)59)82-37-26(51-15(4)61)41(72)75-18(7-53)28(37)65/h16-45,52-57,62-72H,5-11H2,1-4H3,(H,48,58)(H,49,59)(H,50,60)(H,51,61)(H,73,74)/t16-,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-,47-/m0/s1
InChIKeyOKYXFDLCCUHLQR-LRXRTBHESA-N
ChEBI Ontology
Outgoing Relation(s)
α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-α-D-GalpNAc (CHEBI:176880) is a amino hexasaccharide (CHEBI:61855)
α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-α-D-GalpNAc (CHEBI:176880) is a galactosamine oligosaccharide (CHEBI:22484)
α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-α-D-GalpNAc (CHEBI:176880) is a glucosamine oligosaccharide (CHEBI:22485)
IUPAC Name 
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-2-acetamido-2-deoxy-α-D-galactopyranose
Synonyms  Source
α-Neu5Ac-(2→3)-β-D-Gal-(1→4)-β-D-GlcNAc-(1→3)-β-D-Gal-(1→4)-β-D-GlcNAc-(1→3)-α-D-GalNAcChEBI
Neu5Aca2-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3GalNAcaChEBI
Neu5Acα2-3Galβ1-4GlcNAcβ1-3Galβ1-4GlcNAcβ1-3GalNAcαIUPAC
N-acetyl-α-neuraminyl-(2→3)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→3)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→3)-N-acetyl-α-D-galactosamineChEBI
Citations