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CHEBI:84941 - N-acetyl-9-O-acetyl-α-neuraminic acid

ChEBI IDCHEBI:84941
ChEBI NameN-acetyl-9-O-acetyl-α-neuraminic acid
Stars
ASCII NameN-acetyl-9-O-acetyl-alpha-neuraminic acid
DefinitionA member of the class of N-acetylneuraminic acids that is α-neuraminic acid which has acetylated on N-5 and O-9.
Last Modified20 April 2024
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC13H21NO10
Net Charge0
Average Mass351.308
Monoisotopic Mass351.11655
SMILES[H][C@@]1([C@H](O)[C@H](O)COC(C)=O)O[C@@](O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
WURCSWURCS=2.0/1,1,0/[Aad21122h-2a_2-6_5*NCC/3=O_9*OCC/3=O]/1/
InChIInChI=1S/C13H21NO10/c1-5(15)14-9-7(17)3-13(22,12(20)21)24-11(9)10(19)8(18)4-23-6(2)16/h7-11,17-19,22H,3-4H2,1-2H3,(H,14,15)(H,20,21)/t7-,8+,9+,10+,11+,13+/m0/s1
InChIKeyNYWZBRWKDRMPAS-CTAKWSDESA-N
ChEBI Ontology
Outgoing Relation(s)
N-acetyl-9-O-acetyl-α-neuraminic acid (CHEBI:84941) has functional parent α-neuraminic acid (CHEBI:49024)
N-acetyl-9-O-acetyl-α-neuraminic acid (CHEBI:84941) is a N-acetylneuraminic acids (CHEBI:21622)
Incoming Relation(s)
N-acetyl-9-O-acetyl-2-O-methyl-α-neuraminic acid (CHEBI:145416) has functional parent N-acetyl-9-O-acetyl-α-neuraminic acid (CHEBI:84941)
IUPAC Name 
5-acetamido-9-O-acetyl-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranosonic acid
Synonyms  Source
Neu5,9Ac2αChEBI
Neu5,9Ac2aChEBI
N-acetyl-9-O-acetyl-α-neuraminic acidChEBI
9-O-acetyl-N-acetyl-α-neuraminic acidChEBI
αNeu5,9Ac2ChEBI
5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranosonic acid, 9-acetateChEBI
Manual XrefsDatabases
G47325QTGlyTouCan
G47325QTGlyGen
Registry NumbersSources
Reaxys:11202079Reaxys
Citations