BioLiP

PDB

BioLiP

PDB CCD ID:

IUP

Number of entries in BioLiP:

Chemical formula:

C5 H4 N4 O5

InChI:

InChI=1S/C5H4N4O5/c10-2-5(14-13)1(6-3(11)8-2)7-4(12)9-5/h13H,(H3,6,7,8,9,10,11,12)/t5-/m0/s1

InChIKey:

XHKXPKDICPOLRC-YFKPBYRVSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	C12=NC(=O)NC1(C(=O)NC(=O)N2)OO
CACTVS 3.385	OO[C@@]12NC(=O)N=C1NC(=O)NC2=O
ACDLabs 12.01	O=C2N=C1NC(=O)NC(=O)C1(OO)N2
OpenEye OEToolkits 1.7.6	C12=NC(=O)N[C@]1(C(=O)NC(=O)N2)OO
CACTVS 3.385	OO[C]12NC(=O)N=C1NC(=O)NC2=O

Name:

5-(HYDRO)PEROXOISOURATE

ZINC:

ZINC000223254697

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).