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CHEBI:173083 - aceneuramate

ChEBI IDCHEBI:173083
ChEBI Nameaceneuramate
Stars
DefinitionAn N-acetylneuraminate that is the conjugate base of aceneuramic acid arising from the deprotonation of the carboxy group. Major microspecies at pH 7.3.
Last Modified28 May 2021
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC11H18NO9
Net Charge-1
Average Mass308.263
Monoisotopic Mass308.09870
SMILESCC(=O)N[C@@H]([C@@H](O)[C@H](O)[C@H](O)CO)[C@@H](O)CC(=O)C(=O)[O-]
InChIInChI=1S/C11H19NO9/c1-4(14)12-8(5(15)2-6(16)11(20)21)10(19)9(18)7(17)3-13/h5,7-10,13,15,17-19H,2-3H2,1H3,(H,12,14)(H,20,21)/p-1/t5-,7+,8+,9+,10+/m0/s1
InChIKeyKBGAYAKRZNYFFG-BOHATCBPSA-M
ChEBI Ontology
Outgoing Relation(s)
aceneuramate (CHEBI:173083) is a N-acetylneuraminates (CHEBI:21619)
aceneuramate (CHEBI:173083) is a 2-oxo monocarboxylic acid anion (CHEBI:35179)
aceneuramate (CHEBI:173083) is conjugate base of aceneuramic acid (CHEBI:173082)
Incoming Relation(s)
aceneuramic acid (CHEBI:173082) is conjugate acid of aceneuramate (CHEBI:173083)
IUPAC Name 
5-acetamido-3,5-dideoxy-D-glycero-D-galacto-non-2-ulosonate
Synonyms  Source
(4S,5R,6R,7S,8R)-5-acetamido-4,6,7,8,9-pentahydroxy-2-oxononanoateIUPAC
Neu5Ac(1−)ChEBI
N-acetylneuraminateChEBI
N-acetyl-keto-neuraminateMetaCyc
UniProt Name  Source
aceneuramateUniProt
Manual XrefsDatabases
CPD0-2701MetaCyc
Citations