BioLiP

PDB

BioLiP

PDB CCD ID:

HHP

Number of entries in BioLiP:

Chemical formula:

C7 H9 N5 O2

InChI:

InChI=1/C7H9N5O2/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5/h13H,1-2H2,(H4,8,9,11,12,14)/f/h9,12H,8H2

InChIKey:

CQQNNQTXUGLUEV-AAQHSVFUCM

SMILES:

Software	SMILES
CACTVS 3.341	NC1=NC2=C(N=C(CO)CN2)C(=O)N1
ACDLabs 10.04	O=C1NC(=NC=2NCC(=NC1=2)CO)N
OpenEye OEToolkits 1.5.0	C1C(=NC2=C(N1)N=C(NC2=O)N)CO

Name:

6-HYDROXYMETHYL-7,8-DIHYDROPTERIN

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).