BioLiP

PDB

BioLiP

PDB CCD ID:

X04

Number of entries in BioLiP:

Chemical formula:

C8 H11 N2 O6 P

InChI:

InChI=1S/C8H11N2O6P/c1-4-7(12)5(2-11)6(8(9)10-4)3-16-17(13,14)15/h2,12H,3H2,1H3,(H2,9,10)(H2,13,14,15)

InChIKey:

XHTUTGLXZYJZRY-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	Cc1c(c(c(c(n1)N)COP(=O)(O)O)C=O)O
ACDLabs 10.04	O=Cc1c(O)c(nc(N)c1COP(=O)(O)O)C
CACTVS 3.341	Cc1nc(N)c(CO[P](O)(O)=O)c(C=O)c1O

Name:

(2-AMINO-4-FORMYL-5-HYDROXY-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE;
6-AMINO-PYRIDOXAL-5'-PHOSPHATE

ZINC:

ZINC000033821556

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).