SEQ2FUN

BioLiP

PDB CCD ID: 5PN
Number of entries in BioLiP: 2
Chemical formula: C8 H7 N O3
InChI: InChI=1S/C8H7NO3/c1-4-7(10)6-3-12-8(11)5(6)2-9-4/h2,10H,3H2,1H3
InChIKey: PPAXBSPBIWBREI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370Cc1ncc2C(=O)OCc2c1O
ACDLabs 12.01O=C1OCc2c1cnc(c2O)C
OpenEye OEToolkits 1.7.6Cc1c(c2c(cn1)C(=O)OC2)O
Name:7-hydroxy-6-methylfuro[3,4-c]pyridin-3(1H)-one;
5-Pyridoxolactone
ZINC: ZINC000000896001
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).