BioLiP

PDB

BioLiP

PDB CCD ID:

GGB

Number of entries in BioLiP:

Chemical formula:

C5 H12 N4 O3

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)/t3-/m0/s1

InChIKey:

FSBIGDSBMBYOPN-VKHMYHEASA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=C(O)C(N)CCONC(=[N@H])N
OpenEye OEToolkits 1.5.0	[H]N=C(N)NOCCC(C(=O)O)N
CACTVS 3.341	N[CH](CCONC(N)=N)C(O)=O
CACTVS 3.341	N[C@@H](CCONC(N)=N)C(O)=O
OpenEye OEToolkits 1.5.0	[H]/N=C(\N)/NOCC[C@@H](C(=O)O)N

Name:

L-CANAVANINE;
L-2-AMINO-4-(GUANIDINOOXY)BUTYRIC ACID

ChEMBL:

CHEMBL443732

DrugBank:

DB01833

ZINC:

ZINC000003869452

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).