BioLiP

PDB

BioLiP

PDB CCD ID:

EGV

Number of entries in BioLiP:

Chemical formula:

C6 H11 N3 O4

InChI:

InChI=1S/C6H11N3O4/c7-6(8)9-2-3(10)1-4(11)5(12)13/h3,10H,1-2H2,(H,12,13)(H4,7,8,9)/t3-/m0/s1

InChIKey:

RPBOKETVUMOUHD-VKHMYHEASA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	C(C(CNC(=N)N)O)C(=O)C(=O)O
CACTVS 3.385	NC(=N)NC[CH](O)CC(=O)C(O)=O
CACTVS 3.385	NC(=N)NC[C@@H](O)CC(=O)C(O)=O
ACDLabs 12.01	C(O)(C(CC(CNC(=N)\N)O)=O)=O
OpenEye OEToolkits 2.0.6	[H]/N=C(/N)\NC[C@H](CC(=O)C(=O)O)O

Name:

(4S)-5-carbamimidamido-4-hydroxy-2-oxopentanoic 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).