BioLiP

PDB

BioLiP

PDB CCD ID:

P0P

Number of entries in BioLiP:

Chemical formula:

C8 H12 N O7 P

InChI:

InChI=1S/C8H12NO7P/c1-4-7(10)6(8(11)12)5(2-9-4)3-16-17(13,14)15/h2,8,10-12H,3H2,1H3,(H2,13,14,15)

InChIKey:

WNSLUVKENIMLGR-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	Cc1c(c(c(cn1)COP(=O)(O)O)C(O)O)O
ACDLabs 10.04	O=P(O)(O)OCc1cnc(c(O)c1C(O)O)C
CACTVS 3.341	Cc1ncc(CO[P](O)(O)=O)c(C(O)O)c1O

Name:

[4-(DIHYDROXYMETHYL)-5-HYDROXY-6-METHYLPYRIDIN-3-YL]METHYL DIHYDROGEN PHOSPHATE

ZINC:

ZINC000034150383

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).