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CHEBI:29006 - N-acetyl-4-O-acetylneuraminate

Default Structure
ChEBI IDCHEBI:29006
ChEBI NameN-acetyl-4-O-acetylneuraminate
Stars
ASCII NameN-acetyl-4-O-acetylneuraminate
DefinitionConjugate base of N-acetyl-4-O-acetylneuraminic acid.
Secondary ChEBI IDsCHEBI:12440, CHEBI:21495, CHEBI:58646, CHEBI:59449
Last Modified5 March 2025
Submitterrafalcan
DownloadsMolfile
FormulaC13H20NO10
Net Charge-1
Average Mass350.300
Monoisotopic Mass350.10927
SMILES[H][C@@]1([C@H](O)[C@H](O)CO)OC(O)(C(=O)[O-])C[C@H](OC(C)=O)[C@H]1NC(C)=O
InChIInChI=1S/C13H21NO10/c1-5(16)14-9-8(23-6(2)17)3-13(22,12(20)21)24-11(9)10(19)7(18)4-15/h7-11,15,18-19,22H,3-4H2,1-2H3,(H,14,16)(H,20,21)/p-1/t7-,8+,9-,10-,11-,13?/m1/s1
InChIKeyLVBIMVQYUKOENY-OABCVWDLSA-M
ChEBI Ontology
Outgoing Relation(s)
N-acetyl-4-O-acetylneuraminate (CHEBI:29006) is a N-acetyl-O-acetylneuraminate (CHEBI:29065)
N-acetyl-4-O-acetylneuraminate (CHEBI:29006) is conjugate base of N-acetyl-4-O-acetylneuraminic acid (CHEBI:32844)
Incoming Relation(s)
N-acetyl-4-O-acetylneuraminic acid (CHEBI:32844) is conjugate acid of N-acetyl-4-O-acetylneuraminate (CHEBI:29006)
IUPAC Name 
5-acetamido-4-O-acetyl-3,5-dideoxy-D-glycero-D-galacto-non-2-ulopyranosonate
Synonym  Source
N,4-O-DiacetylneuraminateKEGG COMPOUND
UniProt Name  Source
N-acetyl-4-O-acetylneuraminateUniProt
Manual XrefsDatabases
C04015KEGG COMPOUND
CPD-414MetaCyc