BioLiP

PDB

BioLiP

PDB CCD ID:

GND

Number of entries in BioLiP:

Chemical formula:

C6 H15 N4 O2

InChI:

InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+1/t4-/m0/s1

InChIKey:

ODKSFYDXXFIFQN-BYPYZUCNSA-O

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	[H]/N=C(/N)\NCCC[C@@H](C(=O)O)[NH3+]
OpenEye OEToolkits 1.5.0	[H]N=C(N)NCCCC(C(=O)O)[NH3+]
ACDLabs 10.04	O=C(O)C(CCCNC(=[N@H])N)[NH3+]
CACTVS 3.341	NC(=N)NCCC[CH]([NH3+])C(O)=O
CACTVS 3.341	NC(=N)NCCC[C@H]([NH3+])C(O)=O

Name:

2-AMINO-5-GUANIDINO-PENTANOIC ACID;
L-argininium(2+);
L-argininediium

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).