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CHEBI:65188 - 9-deoxy-9-acetamido-N-acetyl-α-neuraminic acid

ChEBI IDCHEBI:65188
ChEBI Name9-deoxy-9-acetamido-N-acetyl-α-neuraminic acid
Stars
ASCII Name9-deoxy-9-acetamido-N-acetyl-alpha-neuraminic acid
DefinitionAn N-acetylneuraminic acid that is N-acetyl-α-neuraminic acid in which the 9-hydroxy group has been replaced by an acetamido group.
Last Modified20 November 2019
SubmitterSteve
DownloadsMolfile
FormulaC13H22N2O9
Net Charge0
Average Mass350.324
Monoisotopic Mass350.13253
SMILES[H][C@@]1([C@H](O)[C@H](O)CNC(C)=O)O[C@@](O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
InChIInChI=1S/C13H22N2O9/c1-5(16)14-4-8(19)10(20)11-9(15-6(2)17)7(18)3-13(23,24-11)12(21)22/h7-11,18-20,23H,3-4H2,1-2H3,(H,14,16)(H,15,17)(H,21,22)/t7-,8+,9+,10+,11+,13+/m0/s1
InChIKeyVOVFDZJABRGWTQ-CTAKWSDESA-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)
9-deoxy-9-acetamido-N-acetyl-α-neuraminic acid (CHEBI:65188) has functional parent N-acetylneuraminic acid (CHEBI:17012)
9-deoxy-9-acetamido-N-acetyl-α-neuraminic acid (CHEBI:65188) has role epitope (CHEBI:53000)
9-deoxy-9-acetamido-N-acetyl-α-neuraminic acid (CHEBI:65188) is a N-acetylneuraminic acids (CHEBI:21622)
IUPAC Name 
5,9-diacetamido-3,5,9-trideoxy-D-glycero-α-D-galacto-non-2-ulopyranosonic acid
Synonyms  Source
9-deoxy-9-(acetylamino)-N-acetyl-α-neuraminic acidChEBI
9NAcNeu5AcαChEBI
Citations