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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-(3,4-dihydroxypyridinium-1-yl)-L-alanine
ChEBI ID CHEBI:17993
ChEBI ASCII Name 3-(3,4-dihydroxypyridinium-1-yl)-L-alanine
Definition A pyridinium ion that is L-alanine in which a methyl hydrogen is replaced by a 3,4-dioxidopyridinium-1-yl group.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:1425, CHEBI:11721, CHEBI:19926
Supplier Information
Download Molfile XML SDF
Formula C8H11N2O4
Net Charge +1
Average Mass 199.18402
Monoisotopic Mass 199.07133
InChI InChI=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
InChIKey PWDJFVLCTVHYOX-YFKPBYRVSA-O
SMILES N[C@@H](C[n+]1ccc(O)c(O)c1)C(O)=O
ChEBI Ontology
Outgoing 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 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 Sources
3-(3,4-dihydroxypyridin-1-yl)-L-alanine ChEBI
3-(3,4-Dihydroxypyridin-1-yl)-L-alanine KEGG COMPOUND
Manual Xref Database
C04446 KEGG COMPOUND
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Last Modified
28 November 2014