BioLiP

PDB

BioLiP

PDB CCD ID:

A1EFG

Number of entries in BioLiP:

Chemical formula:

C6 H6 O3

InChI:

InChI=1S/C6H6O3/c1-4-5(6(7)8)2-3-9-4/h2-3H,1H3,(H,7,8)

InChIKey:

CFGQZVOVFIZRMN-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1occc1C(O)=O
OpenEye OEToolkits 2.0.7	Cc1c(cco1)C(=O)O

Name:

2-methylfuran-3-carboxylic acid;
6947-94-0

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).