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BioLiP

PDB CCD ID: UVP
Number of entries in BioLiP: 0
Chemical formula: C11 H16 N2 O8 P
InChI: InChI=1S/C11H15N2O8P/c1-20-9-8(15)6(3-5-22(17,18)19)21-10(9)13-4-2-7(14)12-11(13)16/h2-6,8-10,15H,1H3,(H3,12,14,16,17,18,19)/p+1/b5-3+/t6-,8-,9-,10-/m1/s1
InChIKey: XBCZHNUNHZIGAE-JKXAUABFSA-O
SMILES:
SoftwareSMILES
CACTVS 3.385CO[C@@H]1[C@H](O)[C@H](O[C@H]1[n+]2ccc(O)nc2O)\C=C\[P](O)(O)=O
OpenEye OEToolkits 2.0.6CO[C@@H]1[C@@H]([C@H](O[C@H]1[n+]2ccc(nc2O)O)/C=C/P(=O)(O)O)O
ACDLabs 12.01O=P(O)([C@H]=CC1OC(C(C1O)OC)[n+]2c(O)nc(O)cc2)O
CACTVS 3.385CO[CH]1[CH](O)[CH](O[CH]1[n+]2ccc(O)nc2O)C=C[P](O)(O)=O
OpenEye OEToolkits 2.0.6COC1C(C(OC1[n+]2ccc(nc2O)O)C=CP(=O)(O)O)O
Name:1-[(5E)-5,6-dideoxy-2-O-methyl-6-phosphono-beta-D-ribo-hex-5-enofuranosyl]-2,4-dihydroxypyrimidin-1-ium;
uridine vinyl phosphonate
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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