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CHEBI:58344 - 3-(3,4-dioxidopyridinium-1-yl)-L-alanine(1−)

ChEBI IDCHEBI:58344
ChEBI Name3-(3,4-dioxidopyridinium-1-yl)-L-alanine(1−)
Stars
ASCII Name3-(3,4-dioxidopyridinium-1-yl)-L-alanine(1-)
DefinitionAn α-amino-acid cation arising from deprotonation of the carboxy and hydroxy groups and protonation of the amino group of the cationic 3-(3,4-dihydroxypyridinium-1-yl)-L-alanine; major species at pH 7.3.
Last Modified22 May 2014
DownloadsMolfile
FormulaC8H9N2O4
Net Charge-1
Average Mass197.170
Monoisotopic Mass197.05678
SMILES[NH3+][C@@H](C[n+]1ccc([O-])c([O-])c1)C(=O)[O-]
InChIInChI=1S/C8H10N2O4/c9-5(8(13)14)3-10-2-1-6(11)7(12)4-10/h1-2,4-5,12H,3,9H2,(H,13,14)/p-1/t5-/m0/s1
InChIKeyWZNJWVWKTVETCG-YFKPBYRVSA-M
ChEBI Ontology
Outgoing Relation(s)
3-(3,4-dioxidopyridinium-1-yl)-L-alanine(1−) (CHEBI:58344) is a α-amino-acid cation (CHEBI:33719)
3-(3,4-dioxidopyridinium-1-yl)-L-alanine(1−) (CHEBI:58344) is conjugate base of 3-(3,4-dihydroxypyridinium-1-yl)-L-alanine (CHEBI:17993)
3-(3,4-dioxidopyridinium-1-yl)-L-alanine(1−) (CHEBI:58344) is conjugate base of 3-(3,4-dihydroxypyridinium-1-yl)-L-alanine zwitterion (CHEBI:77848)
Incoming Relation(s)
3-(3,4-dihydroxypyridinium-1-yl)-L-alanine (CHEBI:17993) is conjugate acid of 3-(3,4-dioxidopyridinium-1-yl)-L-alanine(1−) (CHEBI:58344)
3-(3,4-dihydroxypyridinium-1-yl)-L-alanine zwitterion (CHEBI:77848) is conjugate acid of 3-(3,4-dioxidopyridinium-1-yl)-L-alanine(1−) (CHEBI:58344)
IUPAC Name 
(2S)-2-azaniumyl-3-(3,4-dioxidopyridinium-1-yl)propanoate
Synonym  Source
3-(3,4-dioxidopyridinium-1-yl)-L-alanine anionChEBI