GGB

L-CANAVANINE

Created:	1999-07-27
Last modified:	2024-09-27

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12 entries where GGB is found as a standalone ligand5 entries where GGB is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	1
Bond Count	23
Aromatic Bond Count	0

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Chemical Component Summary
Name	L-CANAVANINE
Synonyms	L-2-AMINO-4-(GUANIDINOOXY)BUTYRIC ACID
Systematic Name (OpenEye OEToolkits)	(2S)-2-amino-4-carbamimidamidooxy-butanoic acid
Formula	C₅ H₁₂ N₄ O₃
Molecular Weight	176.174
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C(N)CCONC(=[N@H])N
SMILES	CACTVS	3.341	N[CH](CCONC(N)=N)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	[H]N=C(N)NOCCC(C(=O)O)N
Canonical SMILES	CACTVS	3.341	N[C@@H](CCONC(N)=N)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	[H]/N=C(\N)/NOCC[C@@H](C(=O)O)N
InChI	InChI	1.03	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
InChIKey	InChI	1.03	FSBIGDSBMBYOPN-VKHMYHEASA-N

Drug Info: DrugBank

DrugBank ID	DB01833
Name	Canavanine
Groups	experimental
Synonyms	2-Amino-4-(guanidinooxy)butyric acid Canavanine Canavanin (L)-Canavanine L-Canavanine O-((Aminoiminomethyl)amino)-L-homoserine
Categories	Amino Acids Amino Acids, Peptides, and Proteins
CAS number	543-38-4

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Nitric oxide synthase, endothelial	MGNLKSVAQEPGPPCGLGLGLGLGLCGKQGPATPAPEPSRAPASLLPPAP...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682