BioLiP

PDB

BioLiP

PDB CCD ID:

7ZS

Number of entries in BioLiP:

Chemical formula:

C8 H6 O4

InChI:

InChI=1S/C8H6O4/c9-4-5-2-1-3-6(7(5)10)8(11)12/h1-4,10H,(H,11,12)

InChIKey:

YOEUNKPREOJHBW-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)c1cccc(C=O)c1O
OpenEye OEToolkits 2.0.6	c1cc(c(c(c1)C(=O)O)O)C=O

Name:

3-methanoyl-2-oxidanyl-benzoic acid

ZINC:

ZINC000000507925

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).