BioLiP

PDB

BioLiP

PDB CCD ID:

4VI

Number of entries in BioLiP:

Chemical formula:

C6 H10 N4 O2

InChI:

InChI=1S/C6H10N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h1,3,7H,2H2,(H,11,12)(H4,8,9,10)/b3-1+,7-4-

InChIKey:

DTYASQOTNAATQJ-QJBDDWKRSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C(C=CNC(=N)N)C(=N)C(=O)O
OpenEye OEToolkits 2.0.7	[H]/N=C(/C/C=C/N/C(=N\[H])/N)\C(=O)O
CACTVS 3.385	NC(=N)NC=CCC(=N)C(O)=O
CACTVS 3.385	NC(=N)N/C=C/CC(=N)C(O)=O
ACDLabs 12.01	N=C(C\C=C\NC(=N)N)C(=O)O

Name:

(2Z,4E)-5-carbamimidamido-2-iminopent-4-enoic acid

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).