BioLiP

PDB

BioLiP

PDB CCD ID:

OXC

Number of entries in BioLiP:

Chemical formula:

C4 H5 N3 O4

InChI:

InChI=1S/C4H5N3O4/c8-2(9)1-5-3(10)7-4(11)6-1/h1H,(H,8,9)(H3,5,6,7,10,11)

InChIKey:

IRFZLMWJJPULRF-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C1(NC(=O)NC(=O)N1)C(=O)O
CACTVS 3.341	OC(=O)C1NC(=O)NC(=O)N1
ACDLabs 10.04	O=C1NC(C(=O)O)NC(=O)N1

Name:

OXONIC ACID

ZINC:

ZINC000001572549

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).