L-Canavanine

L-Canavanine bmse000073 - Data bmst000267 - Theory

L_canavanine synonyms

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

Wikipedia:

Graphical representations:

L_canavanine

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: 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

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

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

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, https://www.nature.com/articles/sdata201773)