BioLiP

PDB

BioLiP

PDB CCD ID:

5PR

Number of entries in BioLiP:

Chemical formula:

C8 H9 N O4

InChI:

InChI=1S/C8H9NO4/c1-4-7(11)6(3-10)5(2-9-4)8(12)13/h2,10-11H,3H2,1H3,(H,12,13)

InChIKey:

VJZTVPVXKYQRJZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.370	Cc1ncc(C(O)=O)c(CO)c1O
ACDLabs 12.01	O=C(O)c1cnc(c(O)c1CO)C
OpenEye OEToolkits 1.7.0	Cc1c(c(c(cn1)C(=O)O)CO)O

Name:

5-hydroxy-4-(hydroxymethyl)-6-methylpyridine-3-carboxylic acid;
5-Pyridoxic 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).