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CHEBI:32844 - N-acetyl-4-O-acetylneuraminic acid

Default Structure
ChEBI IDCHEBI:32844
ChEBI NameN-acetyl-4-O-acetylneuraminic acid
Stars
ASCII NameN-acetyl-4-O-acetylneuraminic acid
Secondary ChEBI IDsCHEBI:7106, CHEBI:21496
Last Modified5 March 2025
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC13H21NO10
Net Charge0
Average Mass351.308
Monoisotopic Mass351.11655
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)/t7-,8+,9-,10-,11-,13?/m1/s1
InChIKeyLVBIMVQYUKOENY-OABCVWDLSA-N
ChEBI Ontology
Outgoing Relation(s)
N-acetyl-4-O-acetylneuraminic acid (CHEBI:32844) is a N-acetyl-O-acetylneuraminic acid (CHEBI:21569)
N-acetyl-4-O-acetylneuraminic acid (CHEBI:32844) is conjugate acid of N-acetyl-4-O-acetylneuraminate (CHEBI:29006)
Incoming Relation(s)
N-acetyl-4-O-acetylneuraminate (CHEBI:29006) is conjugate base of N-acetyl-4-O-acetylneuraminic acid (CHEBI:32844)
IUPAC Name 
5-acetamido-4-O-acetyl-3,5-dideoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid
Synonym  Source
4-O-acetyl-N-acetylneuraminic acidChemIDplus
Manual XrefsDatabases
C04015KEGG COMPOUND
Registry NumbersSources
Beilstein:5630815Beilstein
CAS:16655-75-7ChemIDplus
Citations