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BioLiP Library

PDB CCD ID: A1A0L
Number of entries in BioLiP: 0
Chemical formula: C10 H15 N2 O8 P
InChI: InChI=1S/C10H15N2O8P/c1-5-3-12(10(14)11-8(5)18-2)9-7(13)6(4-19-9)20-21(15,16)17/h3,6-7,9,13H,4H2,1-2H3,(H2,15,16,17)/t6-,7+,9+/m0/s1
InChIKey: OJDLFCPBILBUDP-LKEWCRSYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=P(O)(O)OC1COC(N2C=C(C)C(=NC2=O)OC)C1O
OpenEye OEToolkits 2.0.7CC1=CN(C(=O)N=C1OC)[C@H]2[C@@H]([C@H](CO2)OP(=O)(O)O)O
CACTVS 3.385COC1=NC(=O)N(C=C1C)[CH]2OC[CH](O[P](O)(O)=O)[CH]2O
OpenEye OEToolkits 2.0.7CC1=CN(C(=O)N=C1OC)C2C(C(CO2)OP(=O)(O)O)O
CACTVS 3.385COC1=NC(=O)N(C=C1C)[C@@H]2OC[C@H](O[P](O)(O)=O)[C@H]2O
Name:1-{(2R,3R,4S)-3-hydroxy-4-[(trihydroxy-lambda~5~-phosphanyl)oxy]oxolan-2-yl}-4-methoxy-5-methylpyrimidin-2(1H)-one
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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