BioLiP

PDB

BioLiP

PDB CCD ID:

OTD

Number of entries in BioLiP:

Chemical formula:

C6 H6 N2 O5

InChI:

InChI=1S/C6H6N2O5/c9-4(10)2-1-3(5(11)12)8-6(13)7-2/h1-2H,(H,9,10)(H,11,12)(H2,7,8,13)/t2-/m1/s1

InChIKey:

WVCOMWPLPGATRR-UWTATZPHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C1=C(NC(=O)NC1C(=O)O)C(=O)O
CACTVS 3.341	OC(=O)[CH]1NC(=O)NC(=C1)C(O)=O
CACTVS 3.341	OC(=O)[C@@H]1NC(=O)NC(=C1)C(O)=O
OpenEye OEToolkits 1.5.0	C1=C(NC(=O)N[C@H]1C(=O)O)C(=O)O
ACDLabs 10.04	O=C(O)C1C=C(C(=O)O)NC(=O)N1

Name:

2-OXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4,6-DICARBOXYLIC ACID;
HDDP

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).