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CHEBI:59571 - α-Neu9,NAc2-(2→6)-GalNAc

ChEBI IDCHEBI:59571
ChEBI Nameα-Neu9,NAc2-(2→6)-GalNAc
Stars
ASCII Namealpha-Neu9,NAc2-(2->6)-GalNAc
DefinitionAn amino disaccharide consisting of an N-acetylglucosamine having an N-acetyl-9-O-acetylneuraminic acid attached via an α-(2→6)-linkage.
Last Modified28 February 2017
SubmitterSteve
DownloadsMolfile
FormulaC21H34N2O15
Net Charge0
Average Mass554.502
Monoisotopic Mass554.19592
SMILES[H][C@@]1([C@H](O)[C@H](O)COC(C)=O)O[C@@](OC[C@H]2OC(O)[C@H](NC(C)=O)[C@@H](O)[C@H]2O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
InChIInChI=1S/C21H34N2O15/c1-7(24)22-13-10(27)4-21(20(33)34,38-18(13)15(29)11(28)5-35-9(3)26)36-6-12-16(30)17(31)14(19(32)37-12)23-8(2)25/h10-19,27-32H,4-6H2,1-3H3,(H,22,24)(H,23,25)(H,33,34)/t10-,11+,12+,13+,14+,15+,16-,17+,18+,19?,21+/m0/s1
InChIKeyYXTQOPXTCNTBGM-LNOVCIHQSA-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)
α-Neu9,NAc2-(2→6)-GalNAc (CHEBI:59571) has role epitope (CHEBI:53000)
α-Neu9,NAc2-(2→6)-GalNAc (CHEBI:59571) is a amino disaccharide (CHEBI:22480)
IUPAC Name 
5-acetamido-9-O-acetyl-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→6)-2-acetamido-2-deoxy-D-galactopyranose
Synonyms  Source
9-OAcSA-α-(2→6)-GalNAcChEBI
2-acetamido-6-O-(5-acetamido-9-O-acetyl-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl)-2-deoxy-D-galactopyranoseChEBI
9-OAcSA-α-(2→6)-GalpNAcChEBI
α-9-Ac-NeuNAc-(2→6)-GalpNAcChEBI
α-9-Ac-NeuNAc-(2→6)-GalNAcChEBI
α-Neup9,NAc2-(2→6)-D-GalNAcIUPAC
Citations