CHEBI:28879 - 9-O-acetylneuraminic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 9-O-acetylneuraminic acid
ChEBI ID CHEBI:28879
ChEBI ASCII Name 9-O-acetylneuraminic acid
Definition The acetate ester of the primary hydroxy group of neuraminic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:21939, CHEBI:7672
Supplier Information
Download Molfile XML SDF
Formula C11H19NO9
Net Charge 0
Average Mass 309.26990
Monoisotopic Mass 309.106
InChI InChI=1S/C11H19NO9/c1-4(13)20-3-6(15)8(16)9-7(12)5(14)2-11(19,21-9)10(17)18/h5-9,14-16,19H,2-3,12H2,1H3,(H,17,18)/t5-,6+,7+,8+,9+,11?/m0/s1
InChIKey BJOZNDRNJJZHPZ-LUWBGTNYSA-N
SMILES [H][C@]1(OC(O)(C[C@H](O)[C@H]1N)C(O)=O)[C@H](O)[C@H](O)COC(C)=O
ChEBI Ontology
Outgoing 9-O-acetylneuraminic acid (CHEBI:28879) has functional parent 5-amino-3,5-dideoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid (CHEBI:7539)
9-O-acetylneuraminic acid (CHEBI:28879) has functional parent keto-neuraminic acid (CHEBI:27851)
9-O-acetylneuraminic acid (CHEBI:28879) is a acetate ester (CHEBI:47622)
9-O-acetylneuraminic acid (CHEBI:28879) is a neuraminic acids (CHEBI:25508)
IUPAC Name
9-O-acetyl-5-amino-3,5-dideoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid
Synonyms Sources
O-Acetylated sialic acid KEGG COMPOUND
O-Acetylneuraminic acid KEGG COMPOUND
Manual Xref Database
C03525 KEGG COMPOUND
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Last Modified
21 February 2011