BioLiP

PDB

BioLiP

PDB CCD ID:

HPT

Number of entries in BioLiP:

Chemical formula:

C8 H12 N2 O3

InChI:

InChI=1S/C8H12N2O3/c1-5-6(3-2-4-11)9-8(13)10-7(5)12/h11H,2-4H2,1H3,(H2,9,10,12,13)

InChIKey:

OIEJBPVNLZZLGQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	CC1=C(CCCO)NC(=O)NC1=O
OpenEye OEToolkits 1.5.0	CC1=C(NC(=O)NC1=O)CCCO
ACDLabs 10.04	O=C1NC(=C(C(=O)N1)C)CCCO

Name:

6-HYDROXYPROPYLTHYMINE

DrugBank:

DB04139

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).