Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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L-Canavanine synonyms

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


Graphical representations:

L-Canavanine image

View large 3D structure

Molecular Formula: C5 H12 N4 O3

Natural Isotopic Abundance Mass: 176.1737800000

Mono-Isotopic Molecular Masses:

  • C12N14: 176.090940272
  • C13N14: 181.107714461
  • C12N15: 180.079079845
  • C13N15: 185.0958540341

InChI String: InChI=1S/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

isomeric SMILES: C(CON=C(N)N)[C@@H](C(=O)O)N

canonical SMILES: C(CON=C(N)N)C(C(=O)O)N

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

IUPAC traditional: IUPAC cas: IUPAC openeye
(2S)-2-amino-4-guanidinooxy-butanoic acid

PubChem Substance (SID):   85164919   3602
PubChem Compound (CID):   439202
KEGG: Compound ID   C00308
CAS Registry IDs:   543-38-4
PDB Chemical Component   GGB
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

Atom numbering calculated using ALATIS. Citation: 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,