BioLiP

PDB

BioLiP

PDB CCD ID:

G5V

Number of entries in BioLiP:

Chemical formula:

C7 H6 O5

InChI:

InChI=1S/C7H6O5/c1-3-5(7(10)11)6(9)4(8)2-12-3/h2,8H,1H3,(H,10,11)

InChIKey:

NFPVFWUVBGEVHR-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CC1=C(C(=O)C(=CO1)O)C(=O)O
CACTVS 3.385	CC1=C(C(O)=O)C(=O)C(=CO1)O
ACDLabs 12.01	O=C(O)C1=C(OC=C(C1=O)O)C

Name:

5-hydroxy-2-methyl-4-oxo-4H-pyran-3-carboxylic acid

ChEMBL:

CHEMBL1650617

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).