BioLiP

PDB

BioLiP

PDB CCD ID:

7FN

Number of entries in BioLiP:

Chemical formula:

C6 H4 O5

InChI:

InChI=1S/C6H4O5/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2H,(H,7,8)(H,9,10)

InChIKey:

CHTHALBTIRVDBM-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cc(oc1C(=O)O)C(=O)O
CACTVS 3.385	OC(=O)c1oc(cc1)C(O)=O
ACDLabs 12.01	OC(=O)c1ccc(o1)C(O)=O

Name:

2,5 Furan Dicarboxylic Acid

ZINC:

ZINC000001672226

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).