SEQ2FUN

BioLiP

PDB CCD ID: PZP
Number of entries in BioLiP: 1
Chemical formula: C8 H11 N2 O5 P
InChI: InChI=1S/C8H11N2O5P/c1-5-8(11)7(2-9)6(3-10-5)4-15-16(12,13)14/h2-3,9,11H,4H2,1H3,(H2,12,13,14)/b9-2+
InChIKey: CLOXDHRIVOURLQ-XNWCZRBMSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0Cc1c(c(c(cn1)COP(=O)(O)O)C=N)O
ACDLabs 12.01O=P(O)(O)OCc1cnc(c(O)c1C=[N@H])C
CACTVS 3.370Cc1ncc(CO[P](O)(O)=O)c(C=N)c1O
OpenEye OEToolkits 1.7.0[H]/N=C/c1c(cnc(c1O)C)COP(=O)(O)O
Name:[5-hydroxy-4-(iminomethyl)-6-methyl-pyridin-3-yl]methyl dihydrogen phosphate;
pyridoximine-5'-phosphate
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).