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BioLiP Library

PDB CCD ID: AWC
Number of entries in BioLiP: 0
Chemical formula: C13 H15 N2 O7 P Se
InChI: InChI=1S/C13H15N2O7PSe/c16-8-4-11(22-9(8)6-21-23(19)20)15-5-7(10-2-1-3-24-10)12(17)14-13(15)18/h1-3,5,8-9,11,16,23H,4,6H2,(H,19,20)(H,14,17,18)/t8-,9+,11+/m0/s1
InChIKey: WYJQDKVLIYFCFU-IQJOONFLSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01P(OCC1OC(CC1O)N2C(=O)NC(=O)C(=C2)c3[se]ccc3)(O)=O
CACTVS 3.385O[CH]1C[CH](O[CH]1CO[PH](O)=O)N2C=C(C(=O)NC2=O)c3[se]ccc3
OpenEye OEToolkits 2.0.6c1cc([se]c1)C2=CN(C(=O)NC2=O)[C@H]3C[C@@H]([C@H](O3)COP(=O)O)O
OpenEye OEToolkits 2.0.6c1cc([se]c1)C2=CN(C(=O)NC2=O)C3CC(C(O3)COP(=O)O)O
CACTVS 3.385O[C@H]1C[C@@H](O[C@@H]1CO[PH](O)=O)N2C=C(C(=O)NC2=O)c3[se]ccc3
Name:2'-deoxy-5'-O-[(R)-hydroxy(oxo)-lambda~5~-phosphanyl]-5-selenophen-2-yluridine
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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