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BioLiP

PDB CCD ID: UMO
Number of entries in BioLiP: 0
Chemical formula: C10 H14 F N2 O9 P
InChI: InChI=1S/C10H14FN2O9P/c1-20-10(4-21-23(17,18)19)7(15)6(11)8(22-10)13-3-2-5(14)12-9(13)16/h2-3,6-8,15H,4H2,1H3,(H,12,14,16)(H2,17,18,19)/t6-,7+,8-,10-/m1/s1
InChIKey: ZYOWQXVTIIKUDO-IBCQBUCCSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CO[C]1(CO[P](O)(O)=O)O[CH]([CH](F)[CH]1O)N2C=CC(=O)NC2=O
CACTVS 3.385CO[C@]1(CO[P](O)(O)=O)O[C@H]([C@H](F)[C@@H]1O)N2C=CC(=O)NC2=O
OpenEye OEToolkits 2.0.6CO[C@]1([C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)F)O)COP(=O)(O)O
ACDLabs 12.01C2(N1C(NC(=O)C=C1)=O)C(F)C(C(OC)(O2)COP(O)(=O)O)O
OpenEye OEToolkits 2.0.6COC1(C(C(C(O1)N2C=CC(=O)NC2=O)F)O)COP(=O)(O)O
Name:2'-F-4'-OMe U;
[(2~{R},3~{R},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-fluoranyl-2-methoxy-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
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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