DL-Canavanine

Details

• Internal ID: a1f67267-f34c-4c93-acd7-5d1d795abbdc
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Alpha amino acids
• IUPAC Name: 2-amino-4-(diaminomethylideneamino)oxybutanoic acid
• SMILES (Canonical): C(CON=C(N)N)C(C(=O)O)N
• SMILES (Isomeric): C(CON=C(N)N)C(C(=O)O)N
• InChI: 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)
• InChI Key: FSBIGDSBMBYOPN-UHFFFAOYSA-N
• Popularity: 55 references in papers

Physical and Chemical Properties

• Molecular Formula: C₅H₁₂N₄O₃
• Molecular Weight: 176.17 g/mol
• Exact Mass: 176.09094026 g/mol
• Topological Polar Surface Area (TPSA): 137.00 Ų
• XlogP: -4.80

Synonyms

• Canavanine, DL-
• (+/-)-Canavanine
• Canavanine, (+/-)-
• Canavanine DL-form [MI]
• (L)-CANAVANINE
• UNII-QXB6XSA047
• QXB6XSA047
• Homoserine, O-((aminoiminomethyl)amino)-
• DL-Homoserine, O-((aminoiminomethyl)amino)-
• Butyric acid, 2-amino-4-(guanidinooxy)-, DL-
• 13269-28-8
• O-{[amino(imino)methyl]amino}homoserine sulfate (salt)
• o-carbamimidamidohomoserine
• AI3-52153
• 2-amino-4-(diaminomethylideneamino)oxybutanoic acid
• SCHEMBL151096
• CHEMBL182461
• DTXSID40859473
• 2-Amino-4-guanidinooxybuttersaure
• CHEBI:180947
• FSBIGDSBMBYOPN-UHFFFAOYSA-N
• HMS3261B21
• 2-Amino-4-guanidino-oxybuttersaure
• Tox21_500490
• AKOS015998172
• CCG-221794
• LP00490
• SDCCGSBI-0633720.P001
• NCGC00015287-02
• NCGC00015287-03
• NCGC00015287-04
• NCGC00015287-05
• NCGC00015287-06
• NCGC00093893-01
• NCGC00093893-02
• NCGC00093893-03
• NCGC00093893-04
• NCGC00261175-01
• AI352153
• LS-47817
• AI3 52153
• Q27287549
• 2-amino-4-{[(diaminomethylidene)amino]oxy}butanoic acid
• L-.alpha.-Amino-.gamma.-(guanidinooxy)-n-butyric acid

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	96.50%	96.09%
CHEMBL3060	Q9Y345	Glycine transporter 2	90.68%	99.17%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	88.17%	91.11%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	85.95%	96.95%
CHEMBL3286	P00749	Urokinase-type plasminogen activator	83.97%	97.88%
CHEMBL2581	P07339	Cathepsin D	83.92%	98.95%
CHEMBL3976	Q9UHL4	Dipeptidyl peptidase II	83.85%	92.29%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	83.84%	94.45%
CHEMBL236	P41143	Delta opioid receptor	83.16%	99.35%
CHEMBL1255126	O15151	Protein Mdm4	81.61%	90.20%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	80.15%	90.71%

Plants that contains it

• Canavalia gladiata
• Colutea arborescens

Cross-Links

• PubChem: 275
• NPASS: NPC322091
• ChEMBL: CHEMBL182461
• LOTUS: LTS0170612
• wikiData: Q27287549