BioLiP

PDB

BioLiP

PDB CCD ID:

A1L8P

Number of entries in BioLiP:

Chemical formula:

C10 H12 O7

InChI:

InChI=1S/C10H12O7/c11-3-5-15-9(13)7-1-2-8(17-7)10(14)16-6-4-12/h1-2,11-12H,3-6H2

InChIKey:

LGCKSNYTFLNOIN-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OCCOC(=O)c1oc(cc1)C(=O)OCCO
OpenEye OEToolkits 2.0.7	c1cc(oc1C(=O)OCCO)C(=O)OCCO

Name:

bis(2-hydroxyethyl) furan-2,5-dicarboxylate

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).