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CHEBI:28999 - N-acetyl-9-O-acetylneuraminate

ChEBI IDCHEBI:28999
ChEBI NameN-acetyl-9-O-acetylneuraminate
Stars
ASCII NameN-acetyl-9-O-acetylneuraminate
Secondary ChEBI IDsCHEBI:7108, CHEBI:21499
Last Modified5 March 2025
DownloadsMolfile
FormulaC13H20NO10
Net Charge-1
Average Mass350.300
Monoisotopic Mass350.10927
SMILES[H][C@@]1([C@H](O)[C@H](O)COC(C)=O)OC(O)(C(=O)[O-])C[C@H](O)[C@H]1NC(C)=O
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)/p-1/t7-,8+,9+,10+,11+,13?/m0/s1
InChIKeyNYWZBRWKDRMPAS-CHNADMEASA-M
ChEBI Ontology
Outgoing Relation(s)
N-acetyl-9-O-acetylneuraminate (CHEBI:28999) is a N-acetyl-O-acetylneuraminate (CHEBI:29065)
N-acetyl-9-O-acetylneuraminate (CHEBI:28999) is conjugate base of N-acetyl-9-O-acetylneuraminic acid (CHEBI:21500)
Incoming Relation(s)
α-N-acetyl-9-O-acetylneuraminosyl-(2→3)-β-D-galactosyl-(1→3)-N-acetyl-β-D-galactosaminyl-(1→4)-[N-acetyl-α-neuraminosyl-(2→3)]-β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1')-ceramide(2−) (CHEBI:142211) has part N-acetyl-9-O-acetylneuraminate (CHEBI:28999)
α-N-acetyl-9-O-acetylneuraminosyl-(2→8)-N-acetyl-α-neuraminosyl-(2→8)-N-acetyl-α-neuraminosyl-(2→3)-β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1')-ceramide(3−) (CHEBI:142349) has part N-acetyl-9-O-acetylneuraminate (CHEBI:28999)
N-acetyl-9-O-acetyl-alpha-neuraminate (CHEBI:746906) is a N-acetyl-9-O-acetylneuraminate (CHEBI:28999)
N-acetyl-9-O-acetylneuraminic acid (CHEBI:21500) is conjugate acid of N-acetyl-9-O-acetylneuraminate (CHEBI:28999)
IUPAC Name 
5-acetamido-9-O-acetyl-3,5-dideoxy-D-glycero-D-galacto-non-2-ulopyranosonate
Synonyms  Source
N-Acetyl-9-O-acetylneuraminateKEGG COMPOUND
N,9-O-DiacetylneuraminateKEGG COMPOUND
UniProt Name  Source
N-acetyl-9-O-acetylneuraminateUniProt
Manual XrefsDatabases
C04017KEGG COMPOUND
N-ACETYL-9-O-ACETYLNEURAMINATEMetaCyc