BioLiP

PDB

BioLiP

PDB CCD ID:

UAH

Number of entries in BioLiP:

Chemical formula:

C7 H10 N O5 P

InChI:

InChI=1S/C7H10NO5P/c1-5-7(9)2-6(3-8-5)4-13-14(10,11)12/h2-3,9H,4H2,1H3,(H2,10,11,12)

InChIKey:

CKIPHKBHPIDPOG-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.4	Cc1c(cc(cn1)COP(=O)(O)O)O
CACTVS 3.385	Cc1ncc(CO[P](O)(O)=O)cc1O
ACDLabs 12.01	Cc1ncc(cc1O)COP(O)(O)=O

Name:

(5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate;
4'-deformyl pyidoxal phosphote

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).