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BioLiP

PDB CCD ID: RUS
Number of entries in BioLiP: 0
Chemical formula: C9 H13 N2 O8 P Se
InChI: InChI=1S/C9H13N2O8PSe/c12-5-1-2-11(9(21)10-5)8-7(14)6(13)4(19-8)3-18-20(15,16)17/h1-2,4,6-8,13-14H,3H2,(H,10,12,21)(H2,15,16,17)/t4-,6-,7-,8-/m1/s1
InChIKey: OOOIYMZGLXSVKX-XVFCMESISA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.2C1=CN(C(=NC1=O)[SeH])[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O
CACTVS 3.370O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O)N2C=CC(=O)N=C2[SeH]
ACDLabs 12.01O=P(O)(O)OCC2OC(N1C(=NC(=O)C=C1)[SeH])C(O)C2O
OpenEye OEToolkits 1.7.2C1=CN(C(=NC1=O)[SeH])C2C(C(C(O2)COP(=O)(O)O)O)O
CACTVS 3.370O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C=CC(=O)N=C2[SeH]
Name:1-(5-O-phosphono-beta-D-ribofuranosyl)-2-selanylpyrimidin-4(1H)-one
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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