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BioLiP

PDB CCD ID: KPS
Number of entries in BioLiP: 3
Chemical formula: C9 H15 N2 O9 P
InChI: InChI=1S/C9H15N2O9P/c12-5(1-4-2-10-9(16)11-8(4)15)7(14)6(13)3-20-21(17,18)19/h2,5-7,12-14H,1,3H2,(H2,17,18,19)(H2,10,11,15,16)/t5-,6+,7-/m0/s1
InChIKey: GIMVKTFECLUQAU-XVMARJQXSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C1=C(C(=O)NC(=O)N1)CC(C(C(COP(=O)(O)O)O)O)O
CACTVS 3.370O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)CC1=CNC(=O)NC1=O
ACDLabs 12.01O=C1C(=CNC(=O)N1)CC(O)C(O)C(O)COP(=O)(O)O
OpenEye OEToolkits 1.7.6C1=C(C(=O)NC(=O)N1)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O
CACTVS 3.370O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@@H](O)CC1=CNC(=O)NC1=O
Name:pseudouridine 5'-phosphate, linear;
1-deoxy-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-O-phosphono-D-ribitol
ZINC: ZINC000098209085
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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