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BioLiP

PDB CCD ID: UVX
Number of entries in BioLiP: 0
Chemical formula: C12 H15 N2 O8 P
InChI: InChI=1S/C12H15N2O8P/c1-6-4-12(5-21-23(18,19)20)9(16)8(6)10(22-12)14-3-2-7(15)13-11(14)17/h2-3,8-10,16H,1,4-5H2,(H,13,15,17)(H2,18,19,20)/t8-,9+,10-,12-/m1/s1
InChIKey: OJPKMNNCEVWWCI-DTHBNOIPSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0C=C1CC2(C(C1C(O2)N3C=CC(=O)NC3=O)O)COP(=O)(O)O
CACTVS 3.370O[CH]1[CH]2[CH](O[C]1(CO[P](O)(O)=O)CC2=C)N3C=CC(=O)NC3=O
OpenEye OEToolkits 1.7.0C=C1C[C@]2([C@H]([C@@H]1[C@@H](O2)N3C=CC(=O)NC3=O)O)COP(=O)(O)O
CACTVS 3.370O[C@H]1[C@@H]2[C@@H](O[C@@]1(CO[P](O)(O)=O)CC2=C)N3C=CC(=O)NC3=O
ACDLabs 12.01O=P(O)(O)OCC23OC(N1C(=O)NC(=O)C=C1)C(C(=C)\C2)C3O
Name:[(1R,3R,4R,7S)-3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-7-hydroxy-5-methylidene-2-oxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate
ZINC: ZINC000064437274
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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