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CHEBI:21498 - N-acetyl-7-O-acetylneuraminic acid

Default Structure
ChEBI IDCHEBI:21498
ChEBI NameN-acetyl-7-O-acetylneuraminic acid
Stars
ASCII NameN-acetyl-7-O-acetylneuraminic acid
Last Modified5 March 2025
DownloadsMolfile
FormulaC13H21NO10
Net Charge0
Average Mass351.308
Monoisotopic Mass351.11655
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)/t7-,8?,9+,10?,11+,13?/m0/s1
InChIKeyDUOKWMWKFGDUDQ-BGUFGTBISA-N
ChEBI Ontology
Outgoing Relation(s)
N-acetyl-7-O-acetylneuraminic acid (CHEBI:21498) is a N-acetyl-O-acetylneuraminic acid (CHEBI:21569)
N-acetyl-7-O-acetylneuraminic acid (CHEBI:21498) is conjugate acid of N-acetyl-7-O-acetylneuraminate (CHEBI:28944)
Incoming Relation(s)
N-acetyl-7-O-acetylneuraminate (CHEBI:28944) is conjugate base of N-acetyl-7-O-acetylneuraminic acid (CHEBI:21498)
IUPAC Name 
5-acetamido-7-O-acetyl-3,5-dideoxy-D-galacto-non-2-ulopyranosonic acid
Manual XrefsDatabases
C04016KEGG COMPOUND
Citations