BioLiP

PDB

BioLiP

PDB CCD ID:

HLD

Number of entries in BioLiP:

Chemical formula:

C7 H4 O6

InChI:

InChI=1S/C7H4O6/c8-3-1-4(6(9)10)13-5(2-3)7(11)12/h1-2H,(H,9,10)(H,11,12)

InChIKey:

PBAYDYUZOSNJGU-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	C1=C(OC(=CC1=O)C(=O)O)C(=O)O
CACTVS 3.370	OC(=O)C1=CC(=O)C=C(O1)C(O)=O
ACDLabs 12.01	O=C1C=C(OC(C(=O)O)=C1)C(=O)O

Name:

4-oxo-4H-pyran-2,6-dicarboxylic acid

ZINC:

ZINC000000125011

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).