BioLiP

PDB

BioLiP

PDB CCD ID:

1WG

Number of entries in BioLiP:

Chemical formula:

C6 H4 O4

InChI:

InChI=1S/C6H4O4/c7-3-1-4(8)6(10)2-5(3)9/h1-2,7,10H

InChIKey:

QFSYADJLNBHAKO-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C1C(O)=CC(=O)C(O)=C1
OpenEye OEToolkits 1.7.6	C1=C(C(=O)C=C(C1=O)O)O
CACTVS 3.385	OC1=CC(=O)C(=CC1=O)O

Name:

2,5-dihydroxycyclohexa-2,5-diene-1,4-dione;
2,5-dihydroxybenzoquinone

ZINC:

ZINC000001727813

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).