BioLiP

PDB

BioLiP

PDB CCD ID:

ERO

Number of entries in BioLiP:

Chemical formula:

C7 H6 N2 O4

InChI:

InChI=1S/C7H6N2O4/c1-2-3-4(6(11)12)8-7(13)9-5(3)10/h2H,1H2,(H,11,12)(H2,8,9,10,13)

InChIKey:

HSXVSUXAHMUYQD-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.370	OC(=O)C1=C(C=C)C(=O)NC(=O)N1
ACDLabs 12.01	O=C1NC(C(=O)O)=C(C(=O)N1)/C=C
OpenEye OEToolkits 1.7.6	C=CC1=C(NC(=O)NC1=O)C(=O)O

Name:

5-ethenyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid;
5-vinyl-orotic acid

ZINC:

ZINC000095921425

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).