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CHEBI:28944 - N-acetyl-7-O-acetylneuraminate

ChEBI IDCHEBI:28944
ChEBI NameN-acetyl-7-O-acetylneuraminate
Stars
ASCII NameN-acetyl-7-O-acetylneuraminate
Secondary ChEBI IDsCHEBI:7107, CHEBI:21497
Last Modified5 March 2025
DownloadsMolfile
FormulaC13H20NO10
Net Charge-1
Average Mass350.300
Monoisotopic Mass350.10927
SMILESCC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)[O-])O[C@H]1C(OC(C)=O)C(O)CO
InChIInChI=1S/C13H21NO10/c1-5(16)14-9-7(18)3-13(22,12(20)21)24-11(9)10(8(19)4-15)23-6(2)17/h7-11,15,18-19,22H,3-4H2,1-2H3,(H,14,16)(H,20,21)/p-1/t7-,8?,9+,10?,11+,13?/m0/s1
InChIKeyDUOKWMWKFGDUDQ-BGUFGTBISA-M
ChEBI Ontology
Outgoing Relation(s)
N-acetyl-7-O-acetylneuraminate (CHEBI:28944) is a N-acetyl-O-acetylneuraminate (CHEBI:29065)
N-acetyl-7-O-acetylneuraminate (CHEBI:28944) is conjugate base of N-acetyl-7-O-acetylneuraminic acid (CHEBI:21498)
Incoming Relation(s)
N-acetyl-7-O-acetylneuraminic acid (CHEBI:21498) is conjugate acid of N-acetyl-7-O-acetylneuraminate (CHEBI:28944)
IUPAC Name 
5-acetamido-7-O-acetyl-3,5-dideoxy-D-galacto-non-2-ulopyranosonate
Synonyms  Source
N-Acetyl-7-O-acetylneuraminateKEGG COMPOUND
N,7-O-DiacetylneuraminateKEGG COMPOUND
UniProt Name  Source
N-acetyl-7-O-acetylneuraminateUniProt
Manual XrefsDatabases
C04016KEGG COMPOUND