BioLiP

PDB

BioLiP

PDB CCD ID:

NOP

Number of entries in BioLiP:

Chemical formula:

C8 H10 N O7 P

InChI:

InChI=1S/C8H10NO7P/c1-5-8(11)7(3-10)6(2-9(5)12)4-16-17(13,14)15/h2-3,11H,4H2,1H3,(H2,13,14,15)

InChIKey:

BBWRYPTUKZTWFD-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	Cc1c(c(c(c[n+]1[O-])COP(=O)(O)O)C=O)O
ACDLabs 10.04	[O-][n+]1cc(c(C=O)c(O)c1C)COP(=O)(O)O
CACTVS 3.341	Cc1c(O)c(C=O)c(CO[P](O)(O)=O)c[n+]1[O-]

Name:

PYRIDOXAL-5'-PHOSPHATE-N-OXIDE

DrugBank:

DB03629

ZINC:

ZINC000033367564

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).