Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB


L_canavanine synonyms

Canavanine; 2-Amino-4-(guanidinooxy)butyric acid


Graphical representations:


View large 3D structure

Molecular Formula: C5H12N4O3

Natural Isotopic Abundance Mass: 176.1737800000

Mono-Isotopic Molecular Masses:

  • C12N14: 176.090940272
  • C13N14: 181.107714461
  • C12N15: 180.079079845
  • C13N15: 181.107714461

InChI string: InChI=1/C5H12N4O3/c6-3(4(10)11)1-2-12-9-5(7)8/h3H,1-2,6H2,(H,10,11)(H4,7,8,9)/t3-/m0/s1/f/h10H,7-8H2

IUPAC: (2S)-2-amino-4-(diaminomethylideneamino)oxy-butanoic acid

PubChem Compound (CID): 439202
KEGG Compound ID: C00308
CAS Registry number: 543-38-4

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73,