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CHEBI:61578 - α-Neu5Ac-(2→3)-β-D-Gal-(1→3)-[β-D-GlcNAc-(1→6)]-D-GalNAc

ChEBI IDCHEBI:61578
ChEBI Nameα-Neu5Ac-(2→3)-β-D-Gal-(1→3)-[β-D-GlcNAc-(1→6)]-D-GalNAc
Stars
ASCII Namealpha-Neu5Ac-(2->3)-beta-D-Gal-(1->3)-[beta-D-GlcNAc-(1->6)]-D-GalNAc
DefinitionA amino tetrasaccharide comprising D-GalNAc having a β-D-GlcNAc residue at the 6-position and a α-Neu5Ac-(2→3)-β-D-Gal residue at the 3-position.
Last Modified13 April 2021
SubmitterSteve
DownloadsMolfile
FormulaC33H55N3O24
Net Charge0
Average Mass877.800
Monoisotopic Mass877.31755
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](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)OC(O)[C@@H]3NC(C)=O)[C@@H]2O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
WURCSWURCS=2.0/4,4,3/[a2112h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O]/1-2-3-4/a3-b1_a6-d1_b3-c2
InChIInChI=1S/C33H55N3O24/c1-9(40)34-17-12(43)4-33(32(52)53,59-27(17)20(45)13(44)5-37)60-28-22(47)15(7-39)57-31(25(28)50)58-26-19(36-11(3)42)29(51)55-16(23(26)48)8-54-30-18(35-10(2)41)24(49)21(46)14(6-38)56-30/h12-31,37-39,43-51H,4-8H2,1-3H3,(H,34,40)(H,35,41)(H,36,42)(H,52,53)/t12-,13+,14+,15+,16+,17+,18+,19+,20+,21+,22-,23-,24+,25+,26+,27+,28-,29?,30+,31-,33-/m0/s1
InChIKeyHQAKEQYJAQRGME-ZKDPMOARSA-N
ChEBI Ontology
Outgoing Relation(s)
α-Neu5Ac-(2→3)-β-D-Gal-(1→3)-[β-D-GlcNAc-(1→6)]-D-GalNAc (CHEBI:61578) is a amino tetrasaccharide (CHEBI:59412)
α-Neu5Ac-(2→3)-β-D-Gal-(1→3)-[β-D-GlcNAc-(1→6)]-D-GalNAc (CHEBI:61578) is a glucosamine oligosaccharide (CHEBI:22485)
IUPAC Name 
2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→6)-[5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)-β-D-galactopyranosyl-(1→3)]-2-acetamido-2-deoxy-D-galactopyranose
Synonyms  Source
α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-[β-D-GlcpNAc-(1→6)]-D-GalpNAcChEBI
NeuAc(alpha2-3)Gal(beta1-3)[GlcNAc(beta1-6)]GalNAcChEBI
(Gal)1 (GalNAc)1 (GlcNAc)1 (Neu5Ac)1KEGG GLYCAN
2-acetamido-2-deoxy-β-D-glucosyl-(1→6)-[5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulonosyl-(2→3)-β-D-galactosyl-(1→3)]-2-acetamido-2-deoxy-D-galactoseChEBI
β-D-GlcNAc-(1→6)-[α-Neu5Ac-(2→3)-β-D-Gal-(1→3)]-D-GlcNAcChEBI
Manual XrefsDatabases
G01186KEGG GLYCAN
G02594WSGlyTouCan
G02594WSGlyGen
Citations