BioLiP

PDB

BioLiP

PDB CCD ID:

0GZ

Number of entries in BioLiP:

Chemical formula:

C7 H4 O6

InChI:

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

InChIKey:

VRMXCPVFSJVVCA-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C1OC(=CC(C(=O)O)=C1)C(=O)O
OpenEye OEToolkits 1.7.6	C1=C(C=C(OC1=O)C(=O)O)C(=O)O
CACTVS 3.370	OC(=O)C1=CC(=CC(=O)O1)C(O)=O

Name:

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

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).