BioLiP

PDB

BioLiP

PDB CCD ID:

8IB

Number of entries in BioLiP:

Chemical formula:

C8 H6 O5

InChI:

InChI=1S/C8H6O5/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3,9H,(H,10,11)(H,12,13)

InChIKey:

CDOWNLMZVKJRSC-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)c1ccc(C(O)=O)c(O)c1
OpenEye OEToolkits 2.0.7	c1cc(c(cc1C(=O)O)O)C(=O)O

Name:

2-Hydroxyterephthalic acid;
2-oxidanylterephthalic acid;
2-hydroxybenzene-1,4-dicarboxylic acid;
2-hydroxyterephthalate

ZINC:

ZINC000001701209

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).