SEQ2FUN

BioLiP

PDB CCD ID: US5
Number of entries in BioLiP: 0
Chemical formula: C9 H13 N2 O8 P Se
InChI: InChI=1S/C9H13N2O8PSe/c12-6-4(3-18-20(15,16)17)19-8(7(6)13)11-2-1-5(21)10-9(11)14/h1-2,4,6-8,12-13H,3H2,(H,10,14,21)(H2,15,16,17)/t4-,6-,7-,8-/m1/s1
InChIKey: ZCQCFKOZDRTETH-XVFCMESISA-N
SMILES:
SoftwareSMILES
CACTVS 3.352O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O)N2C=CC(=NC2=O)[SeH]
OpenEye OEToolkits 1.7.0C1=CN(C(=O)N=C1[SeH])C2C(C(C(O2)COP(=O)(O)O)O)O
CACTVS 3.352O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C=CC(=NC2=O)[SeH]
ACDLabs 11.02O=P(O)(O)OCC2OC(N1C(=O)N=C([SeH])C=C1)C(O)C2O
OpenEye OEToolkits 1.7.0C1=CN(C(=O)N=C1[SeH])[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O
Name:1-(5-O-phosphono-beta-D-ribofuranosyl)-4-selanylpyrimidin-2(1H)-one;
4-Se-ribouridine-5'-phosphate
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).