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CHEBI:61636 - α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-[β-D-Glcp-(1→6)]-β-D-GlcpNAc-(1→3)-β-D-Galp

ChEBI IDCHEBI:61636
ChEBI Nameα-Neup5Ac-(2→3)-β-D-Galp-(1→4)-[β-D-Glcp-(1→6)]-β-D-GlcpNAc-(1→3)-β-D-Galp
Stars
ASCII Namealpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-[beta-D-Glcp-(1->6)]-beta-D-GlcpNAc-(1->3)-beta-D-Galp
DefinitionA branched amino pentasaccharide comprising the linear sequence α-Neu5Ac-(2→3)-β-D-Gal-(1→4)-β-D-GlcNAc-(1→3)-β-D-Gal with an additional β-D-Glc residue attached to the GlcNAc at the 6-position.
Last Modified13 April 2021
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)O[C@@H]3CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
WURCSWURCS=2.0/4,5,4/[a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][Aad21122h-2a_2-6_5*NCC/3=O][a2122h-1b_1-5]/1-2-1-3-4/a3-b1_b4-c1_b6-e1_c3-d2
InChIInChI=1S/C37H62N2O29/c1-9(44)38-17-11(46)3-37(36(58)59,67-29(17)19(48)12(47)4-40)68-31-22(51)15(7-43)63-35(27(31)56)65-28-16(8-60-34-25(54)24(53)20(49)13(5-41)62-34)64-33(18(23(28)52)39-10(2)45)66-30-21(50)14(6-42)61-32(57)26(30)55/h11-35,40-43,46-57H,3-8H2,1-2H3,(H,38,44)(H,39,45)(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
InChIKeyVUMSKOMZEDIAGS-BFCKLIDZSA-N
ChEBI Ontology
Outgoing Relation(s)
α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-[β-D-Glcp-(1→6)]-β-D-GlcpNAc-(1→3)-β-D-Galp (CHEBI:61636) is a amino pentasaccharide (CHEBI:59268)
α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-[β-D-Glcp-(1→6)]-β-D-GlcpNAc-(1→3)-β-D-Galp (CHEBI:61636) 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)-[β-D-glucopyranosyl-(1→6)]-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-β-D-galactopyranose
Synonyms  Source
α-Neu5Ac-(2→3)-β-D-Gal-(1→4)-[β-D-Glc-(1→6)]-β-D-GlcNAc-(1→3)-β-D-GalChEBI
N-acetyl-α-neuraminyl-(2→3)-β-D-galactosyl-(1→4)-[β-D-glucosyl-(1→6)]-N-acetyl-β-D-glucosaminyl-(1→3)β-D-galactoseChEBI
(Gal)2 (Glc)1 (GlcNAc)1 (Neu5Ac)1KEGG GLYCAN
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulonosyl-(2→3)-β-D-galactosyl-(1→4)-[β-D-glucosyl-(1→6)]-2-acetamido-2-deoxy-β-D-glucosyl-(1→3)-β-D-galactoseChEBI
Group B Streptococcus Type III Pentasaccharide (Y-shape frameshift)ChEBI
Neu5Acα2-3Galβ1-4(Glcβ1-6)GlcNAcβ1-3GalβChEBI
Manual XrefsDatabases
G02948KEGG GLYCAN
G31709QLGlyTouCan
G31709QLGlyGen
Citations