BioLiP

PDB

BioLiP

PDB CCD ID:

MW0

Number of entries in BioLiP:

Chemical formula:

C6 H8 O2

InChI:

InChI=1S/C6H8O2/c1-5-2-3-6(4-7)8-5/h2-3,7H,4H2,1H3

InChIKey:

VOZFDEJGHQWZHU-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1oc(CO)cc1
OpenEye OEToolkits 2.0.7	Cc1ccc(o1)CO
ACDLabs 12.01	Cc1ccc(CO)o1

Name:

(5-methylfuran-2-yl)methanol

ZINC:

ZINC000000152340

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).