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BioLiP Library

PDB CCD ID: HPT
Number of entries in BioLiP: 2
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:
SoftwareSMILES
CACTVS 3.341CC1=C(CCCO)NC(=O)NC1=O
OpenEye OEToolkits 1.5.0CC1=C(NC(=O)NC1=O)CCCO
ACDLabs 10.04O=C1NC(=C(C(=O)N1)C)CCCO
Name:6-HYDROXYPROPYLTHYMINE
DrugBank: DB04139
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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