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BioLiP

PDB CCD ID: THU
Number of entries in BioLiP: 11
Chemical formula: C9 H14 N2 O5
InChI: InChI=1S/C9H14N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h5-6,8,12-13H,1-4H2,(H,10,14,15)/t5-,6+,8?/m0/s1
InChIKey: XMJRLEURHMTTRX-FWHJPCMOSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1CN(C(=O)NC1=O)C2C[C@@H]([C@H](O2)CO)O
CACTVS 3.341OC[C@H]1O[C@H](C[C@@H]1O)N2CCC(=O)NC2=O
CACTVS 3.341OC[CH]1O[CH](C[CH]1O)N2CCC(=O)NC2=O
OpenEye OEToolkits 1.5.0C1CN(C(=O)NC1=O)C2CC(C(O2)CO)O
ACDLabs 10.04O=C1N(CCC(=O)N1)C2OC(C(O)C2)CO
Name:TETRAHYDRODEOXYURIDINE
DrugBank: DB03562
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).
  • 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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