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CHEBI:35418 - N-acetylneuraminate

ChEBI IDCHEBI:35418
ChEBI NameN-acetylneuraminate
Stars
ASCII NameN-acetylneuraminate
DefinitionA ketoaldonate that is the conjugate base of N-acetylneuraminic acid, obtained by deprotonation of the carboxy group.
Secondary ChEBI IDsCHEBI:12471, CHEBI:12579, CHEBI:21617, CHEBI:33987
Last Modified26 May 2021
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC11H18NO9
Net Charge-1
Average Mass308.263
Monoisotopic Mass308.09870
SMILES[H][C@@]1([C@H](O)[C@H](O)CO)OC(O)(C(=O)[O-])C[C@H](O)[C@H]1NC(C)=O
InChIInChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/p-1/t5-,6+,7+,8+,9+,11?/m0/s1
InChIKeySQVRNKJHWKZAKO-LUWBGTNYSA-M
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
N-acetylneuraminate (CHEBI:35418) has role human metabolite (CHEBI:77746)
N-acetylneuraminate (CHEBI:35418) is a N-acetylneuraminates (CHEBI:21619)
N-acetylneuraminate (CHEBI:35418) is conjugate base of N-acetylneuraminic acid (CHEBI:17012)
Incoming Relation(s)
N-acetylneuraminic acid 9-phosphate (CHEBI:27438) has functional parent N-acetylneuraminate (CHEBI:35418)
N-acetylneuraminic acid (CHEBI:17012) is conjugate acid of N-acetylneuraminate (CHEBI:35418)
IUPAC Name 
5-acetamido-3,5-dideoxy-D-galacto-non-2-ulopyranosonate
Synonym  Source
sialateMetaCyc
UniProt Name  Source
N-acetylneuraminateUniProt
Manual XrefsDatabases
N-ACETYLNEURAMINATEMetaCyc
Registry NumbersSources
Reaxys:9227329Reaxys