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BioLiP

PDB CCD ID: TFT
Number of entries in BioLiP: 0
Chemical formula: C9 H13 N2 O8 P
InChI: InChI=1S/C9H13N2O8P/c1-4-2-11(9(14)10-7(4)13)8-6(12)5(3-18-8)19-20(15,16)17/h2,5-6,8,12H,3H2,1H3,(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
InChIKey: DXLJIGGNYCUWOF-SHYZEUOFSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CC1=CN([CH]2OC[CH](O[P](O)(O)=O)[CH]2O)C(=O)NC1=O
OpenEye OEToolkits 1.5.0CC1=CN(C(=O)NC1=O)C2C(C(CO2)OP(=O)(O)O)O
OpenEye OEToolkits 1.5.0CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H](CO2)OP(=O)(O)O)O
CACTVS 3.341CC1=CN([C@@H]2OC[C@H](O[P](O)(O)=O)[C@H]2O)C(=O)NC1=O
ACDLabs 10.04O=C1NC(=O)N(C=C1C)C2OCC(OP(=O)(O)O)C2O
Name:(L)-ALPHA-THREOFURANOSYL-THYMINE-3'-MONOPHOSPHATE
ZINC: ZINC000058632808
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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