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CHEBI:61712 - α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-[β-D-Glcp-(1→4)]-β-D-Galp

ChEBI IDCHEBI:61712
ChEBI Nameα-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-[β-D-Glcp-(1→4)]-β-D-Galp
Stars
ASCII Namealpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-[beta-D-Glcp-(1->4)]-beta-D-Galp
DefinitionAn amino pentasaccharide consisting of β-D-galactose at the reducing end having a β-D-glucosyl residue at the 4-position and an N-acetyl-α-neuraminyl-(2→3)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosyl moiety at the 3-position.
Last Modified28 April 2020
SubmitterSteve
DownloadsMolfile
FormulaC37H62N2O29
Net Charge0
Average Mass998.888
Monoisotopic Mass998.34382
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](O)O[C@H](CO)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)O[C@@H]3CO)[C@@H]2O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
InChIInChI=1S/C37H62N2O29/c1-9(45)38-17-11(47)3-37(36(58)59,67-29(17)19(49)12(48)4-40)68-30-21(51)14(6-42)62-35(26(30)56)64-27-15(7-43)63-33(18(22(27)52)39-10(2)46)66-31-25(55)32(57)60-16(8-44)28(31)65-34-24(54)23(53)20(50)13(5-41)61-34/h11-35,40-44,47-57H,3-8H2,1-2H3,(H,38,45)(H,39,46)(H,58,59)/t11-,12+,13+,14+,15+,16+,17+,18+,19+,20+,21-,22+,23-,24+,25+,26+,27+,28-,29+,30-,31+,32+,33-,34-,35-,37-/m0/s1
InChIKeyJTFSWAXKFBZNJE-IXANPYFWSA-N
ChEBI Ontology
Outgoing Relation(s)
α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-[β-D-Glcp-(1→4)]-β-D-Galp (CHEBI:61712) is a amino pentasaccharide (CHEBI:59268)
α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-[β-D-Glcp-(1→4)]-β-D-Galp (CHEBI:61712) is a glucosamine oligosaccharide (CHEBI:22485)
Incoming Relation(s)
α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-[β-D-Glcp-(1→4)]-β-D-GalpO[CH2]2NH2 (CHEBI:149613) has functional parent α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-[β-D-Glcp-(1→4)]-β-D-Galp (CHEBI:61712)
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-glucopyranosyl-(1→4)]-β-D-galactopyranose
Synonyms  Source
α-Neu5Ac-(2→3)-β-D-Gal-(1→4)-β-D-GlcNAc-(1→3)-[β-D-Glc-(1→4)]-β-D-GalChEBI
Streptococcal polysaccharide Ia group BChemIDplus
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulonosyl-(2→3)-β-D-galactosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucosyl-(1→3)-[β-D-glucosyl-(1→4)]-β-D-galactoseChEBI
N-acetyl-α-neuraminyl-(2→3)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→3)-[β-D-glucosyl-(1→4)]-β-D-galactoseChEBI
Registry NumbersSources
CAS:84280-28-4ChemIDplus
Citations