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CHEBI:59357 - β-D-GalpNAc-(1→4)-α-D-GalpNAc

ChEBI IDCHEBI:59357
ChEBI Nameβ-D-GalpNAc-(1→4)-α-D-GalpNAc
Stars
ASCII Namebeta-D-GalpNAc-(1->4)-alpha-D-GalpNAc
DefinitionAn amino disaccharide consisting of N-acetyl-α-D-galactosamine having an N-acetyl-D-galactosaminyl residue attached at the 4-position via a β-linkage. Important epitope forming part of the O-polysaccharides of some Gram-negative bacteria.
Last Modified7 April 2021
Submitterzjosephs
DownloadsMolfile
FormulaC16H28N2O11
Net Charge0
Average Mass424.403
Monoisotopic Mass424.16931
SMILESCC(=O)N[C@@H]1[C@@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO)O[C@@H]1O
WURCSWURCS=2.0/2,2,1/[a2112h-1a_1-5_2*NCC/3=O][a2112h-1b_1-5_2*NCC/3=O]/1-2/a4-b1
InChIInChI=1S/C16H28N2O11/c1-5(21)17-9-13(25)14(8(4-20)27-15(9)26)29-16-10(18-6(2)22)12(24)11(23)7(3-19)28-16/h7-16,19-20,23-26H,3-4H2,1-2H3,(H,17,21)(H,18,22)/t7-,8-,9-,10-,11+,12-,13-,14+,15+,16+/m1/s1
InChIKeyCDOJPCSDOXYJJF-IZXYEPCWSA-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-D-GalpNAc (CHEBI:59357) has role epitope (CHEBI:53000)
β-D-GalpNAc-(1→4)-α-D-GalpNAc (CHEBI:59357) is a amino disaccharide (CHEBI:22480)
IUPAC Name 
β-D-2-acetamido-2-deoxy-galactopyranosyl-(1→4)-α-D-2-acetamido-2-deoxy-galactopyranose
Synonyms  Source
β-D-GalNAc-(1→4)-α-D-GalNAcChEBI
2-acetamido-4-O-(2-acetamido-2-deoxy-β-D-galactopyranosyl)-2-deoxy-α-D-galactopyranoseIUPAC
GalNAcβ1-4GalNAcαChEBI
Manual XrefsDatabases
G97542CQGlyTouCan
G97542CQGlyGen
Citations