Chemical Component Summary

Name3-(4-HYDROXY-3-IMINO-6-OXO-CYCLOHEXA-1,4-DIENYL)-ALANINE
Identifiers(2S)-2-amino-3-(4-hydroxy-3-imino-6-oxo-1-cyclohexa-1,4-dienyl)propanoic acid
FormulaC9 H10 N2 O4
Molecular Weight210.187
TypeL-PEPTIDE LINKING
Isomeric SMILESC1=C(C(=O)C=C(C1=N)O)C[C@@H](C(=O)O)N
InChIInChI=1S/C9H10N2O4/c10-5-1-4(2-6(11)9(14)15)7(12)3-8(5)13/h1,3,6,10,13H,2,11H2,(H,14,15)/b10-5-/t6-/m0/s1
InChIKeyFKLZKBKFGLLJJV-HPWAZMHGSA-N

Chemical Details

Formal Charge0
Atom Count25
Chiral Atom Count1
Bond Count25
Aromatic Bond Count0

Drug Info: DrugBank

DrugBank IDDB03631 
Name3-(4-hydroxy-3-imino-6-oxo-cyclohexa-1,4-dienyl)-alanine
Groups experimental
Synonyms3-(4-hydroxy-3-imino-6-oxo-cyclohexa-1,4-dienyl)-alanine

Drug Targets

NameTarget SequencePharmacological ActionActions
Primary amine oxidaseMGSPSLYSARKTTLALAVALSFAWQAPVFAHGGEAHMVPMDKTLKEFGAD...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682