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CHEBI:17993 - 3-(3,4-dihydroxypyridinium-1-yl)-L-alanine

ChEBI IDCHEBI:17993
ChEBI Name3-(3,4-dihydroxypyridinium-1-yl)-L-alanine
Stars
ASCII Name3-(3,4-dihydroxypyridinium-1-yl)-L-alanine
DefinitionA pyridinium ion that is L-alanine in which a methyl hydrogen is replaced by a 3,4-dioxidopyridinium-1-yl group.
Secondary ChEBI IDsCHEBI:1425, CHEBI:11721, CHEBI:19926
Last Modified28 November 2014
DownloadsMolfile
FormulaC8H11N2O4
Net Charge+1
Average Mass199.186
Monoisotopic Mass199.07133
SMILESN[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/h1-2,4-5H,3,9H2,(H2,12,13,14)/p+1/t5-/m0/s1
InChIKeyPWDJFVLCTVHYOX-YFKPBYRVSA-O
ChEBI Ontology
Outgoing Relation(s)
3-(3,4-dihydroxypyridinium-1-yl)-L-alanine (CHEBI:17993) is a pyridinium ion (CHEBI:50334)
3-(3,4-dihydroxypyridinium-1-yl)-L-alanine (CHEBI:17993) is conjugate acid of 3-(3,4-dihydroxypyridinium-1-yl)-L-alanine zwitterion (CHEBI:77848)
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)
Incoming Relation(s)
3-(3,4-dihydroxypyridinium-1-yl)-L-alanine zwitterion (CHEBI:77848) 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 (CHEBI:17993)
IUPAC Name 
3-(3,4-dihydroxypyridinium-1-yl)-L-alanine
Synonyms  Source
3-(3,4-Dihydroxypyridin-1-yl)-L-alanineKEGG COMPOUND
3-(3,4-dihydroxypyridin-1-yl)-L-alanineChEBI
Manual XrefsDatabases
C04446KEGG COMPOUND