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CHEBI:133780 - β-D-GalpNAc-(1→4)-[α-Neup5Ac-(2→3)]-D-Galp

ChEBI IDCHEBI:133780
ChEBI Nameβ-D-GalpNAc-(1→4)-[α-Neup5Ac-(2→3)]-D-Galp
Stars
ASCII Namebeta-D-GalpNAc-(1->4)-[alpha-Neup5Ac-(2->3)]-D-Galp
DefinitionAn amino trisaccharide consisting of N-acetyl-β-D-galactosaminyl and 5-acetyl-α-neuraminyl residues linked respectively (1→4) and (2→3) to D-galactose.
Last Modified20 April 2021
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC25H42N2O19
Net Charge0
Average Mass674.606
Monoisotopic Mass674.23818
SMILES[H][C@@]1([C@H](O)[C@H](O)CO)O[C@@](O[C@H]2[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@@H](CO)OC(O)[C@@H]2O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
WURCSWURCS=2.0/3,3,2/[a2112h-1x_1-5][Aad21122h-2a_2-6_5*NCC/3=O][a2112h-1b_1-5_2*NCC/3=O]/1-2-3/a3-b2_a4-c1
InChIInChI=1S/C25H42N2O19/c1-7(31)26-13-9(33)3-25(24(40)41,45-20(13)15(35)10(34)4-28)46-21-18(38)22(39)42-12(6-30)19(21)44-23-14(27-8(2)32)17(37)16(36)11(5-29)43-23/h9-23,28-30,33-39H,3-6H2,1-2H3,(H,26,31)(H,27,32)(H,40,41)/t9-,10+,11+,12+,13+,14+,15+,16-,17+,18+,19-,20+,21+,22?,23-,25-/m0/s1
InChIKeyKWKKUWAYFCZFPG-WABLHJGLSA-N
Roles Classification
Biological Role:
epitope  The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.
ChEBI Ontology
Outgoing Relation(s)
β-D-GalpNAc-(1→4)-[α-Neup5Ac-(2→3)]-D-Galp (CHEBI:133780) has role epitope (CHEBI:53000)
β-D-GalpNAc-(1→4)-[α-Neup5Ac-(2→3)]-D-Galp (CHEBI:133780) is a amino trisaccharide (CHEBI:59266)
IUPAC Name 
2-acetamido-2-deoxy-β-D-galactopyranosyl-(1→4)-[5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)]-D-galactopyranose
Synonyms  Source
β-D-GalNAc-(1→4)-[α-Neu5Ac-(2→3)]-D-GalChEBI
GalNAcβ1-4(NeuAcα2-3)GalChEBI
N-acetyl-β-D-galactosaminyl-(1→4)-[5-acetyl-α-neuraminyl-(2→3)]-D-galactoseChEBI
Manual XrefsDatabases
G33088YOGlyTouCan
G33088YOGlyGen
Citations