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BioLiP

PDB CCD ID: UCP
Number of entries in BioLiP: 0
Chemical formula: C10 H17 N2 O13 P3
InChI: InChI=1S/C10H17N2O13P3/c13-6-3-9(12-2-1-8(14)11-10(12)15)24-7(6)4-23-28(21,22)25-27(19,20)5-26(16,17)18/h1-2,6-7,9,13H,3-5H2,(H,19,20)(H,21,22)(H,11,14,15)(H2,16,17,18)/t6-,7+,9+/m0/s1
InChIKey: LXPTZNQPTTZWKK-LKEWCRSYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)OP(=O)(CP(=O)(O)O)O)O
OpenEye OEToolkits 1.5.0C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O
CACTVS 3.341O[CH]1C[CH](O[CH]1CO[P](O)(=O)O[P](O)(=O)C[P](O)(O)=O)N2C=CC(=O)NC2=O
CACTVS 3.341O[C@H]1C[C@@H](O[C@@H]1CO[P@@](O)(=O)O[P@@](O)(=O)C[P](O)(O)=O)N2C=CC(=O)NC2=O
ACDLabs 10.04O=P(O)(O)CP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)CC2O
Name:PHOSPHOMETHYL PHOSPHONIC ACID DEOXYURIDYLATE ESTER
ZINC: ZINC000058639056
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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