bmse000073 L-Canavanine at BMRB

L-Canavanine
bmse000073 - data
bmst000267 - theory

L-Canavanine

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

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

L-Canavanine

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

IUPAC
(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.