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BioLiP

PDB CCD ID: 5PR
Number of entries in BioLiP: 2
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:
SoftwareSMILES
CACTVS 3.370Cc1ncc(C(O)=O)c(CO)c1O
ACDLabs 12.01O=C(O)c1cnc(c(O)c1CO)C
OpenEye OEToolkits 1.7.0Cc1c(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, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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