BioLiP

PDB

BioLiP

PDB CCD ID:

98W

Number of entries in BioLiP:

Chemical formula:

C10 H10 O5

InChI:

InChI=1S/C10H10O5/c1-14-9(12)6-3-7(10(13)15-2)5-8(11)4-6/h3-5,11H,1-2H3

InChIKey:

DOSDTCPDBPRFHQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	COC(=O)c1cc(cc(c1)O)C(=O)OC
CACTVS 3.385	COC(=O)c1cc(O)cc(c1)C(=O)OC

Name:

dimethyl 5-oxidanylbenzene-1,3-dicarboxylate

ZINC:

ZINC000000032327

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).