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BioLiP

PDB CCD ID: CMR
Number of entries in BioLiP: 0
Chemical formula: C10 H16 N3 O6 P
InChI: InChI=1S/C10H16N3O6P/c1-20(16,17)18-5-7-6(14)4-9(19-7)13-3-2-8(11)12-10(13)15/h2-3,6-7,9,14H,4-5H2,1H3,(H,16,17)(H2,11,12,15)/t6-,7+,9+/m0/s1
InChIKey: HGVVWCDXVSXKJT-LKEWCRSYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C[P@@](=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=CC(=NC2=O)N)O
OpenEye OEToolkits 1.5.0CP(=O)(O)OCC1C(CC(O1)N2C=CC(=NC2=O)N)O
CACTVS 3.341C[P](O)(=O)OC[CH]1O[CH](C[CH]1O)N2C=CC(=NC2=O)N
ACDLabs 10.04O=C1N=C(N)C=CN1C2OC(C(O)C2)COP(=O)(O)C
CACTVS 3.341C[P@@](O)(=O)OC[C@H]1O[C@H](C[C@@H]1O)N2C=CC(=NC2=O)N
Name:2'-DEOXY-CYTIDINE-5'-RP-MONOMETHYLPHOSPHONATE
ZINC: ZINC000038538806
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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