CHEBI:28999 - N-acetyl-9-O-acetylneuraminate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-acetyl-9-O-acetylneuraminate
ChEBI ID CHEBI:28999
ChEBI ASCII Name N-acetyl-9-O-acetylneuraminate
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:7108, CHEBI:21499
Supplier Information
Download Molfile XML SDF
Formula C13H20NO10
Net Charge -1
Average Mass 350.29864
Monoisotopic Mass 350.10927
InChI InChI=1S/C13H21NO10/c1-5(15)14-9-7(17)3-13(22,12(20)21)24-11(9)10(19)8(18)4-23-6(2)16/h7-11,17-19,22H,3-4H2,1-2H3,(H,14,15)(H,20,21)/p-1/t7-,8+,9+,10+,11+,13-/m0/s1
InChIKey NYWZBRWKDRMPAS-GRRZBWEESA-M
SMILES [H][C@]1(O[C@@](O)(C[C@H](O)[C@H]1NC(C)=O)C([O-])=O)[C@H](O)[C@H](O)COC(C)=O
ChEBI Ontology
Outgoing N-acetyl-9-O-acetylneuraminate (CHEBI:28999) is a N-acetyl-O-acetylneuraminate (CHEBI:29065)
N-acetyl-9-O-acetylneuraminate (CHEBI:28999) is conjugate base of N-acetyl-9-O-acetylneuraminic acid (CHEBI:21500)
Incoming α-N-acetyl-9-O-acetylneuraminosyl-(2→3)-β-D-galactosyl-(1→3)-N-acetyl-β-D-galactosaminyl-(1→4)-[N-acetyl-α-neuraminosyl-(2→3)]-β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1ʼ)-ceramide(2−) (CHEBI:142211) has part N-acetyl-9-O-acetylneuraminate (CHEBI:28999)
α-N-acetyl-9-O-acetylneuraminosyl-(2→8)-N-acetyl-α-neuraminosyl-(2→8)-N-acetyl-α-neuraminosyl-(2→3)-β-D-galactosyl-(1→4)-β-D-glucosyl-(1↔1ʼ)-ceramide(3−) (CHEBI:142349) has part N-acetyl-9-O-acetylneuraminate (CHEBI:28999)
N-acetyl-9-O-acetylneuraminic acid (CHEBI:21500) is conjugate acid of N-acetyl-9-O-acetylneuraminate (CHEBI:28999)
IUPAC Name
5-acetamido-9-O-acetyl-3,5-dideoxy-D-glycero-β-D-galacto-non-2-ulopyranosonate
Synonyms Sources
N,9-O-Diacetylneuraminate KEGG COMPOUND
N-Acetyl-9-O-acetylneuraminate KEGG COMPOUND
N-acetyl-9-O-acetylneuraminate UniProt
Manual Xref Database
C04017 KEGG COMPOUND
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Last Modified
01 July 2015