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BioLiP

PDB CCD ID: 3ZO
Number of entries in BioLiP: 0
Chemical formula: C10 H13 N4 O8 P
InChI: InChI=1S/C10H13N4O8P/c15-4-1-6(22-5(4)2-21-23(18,19)20)14-3-11-7-8(14)12-10(17)13-9(7)16/h3-6,15H,1-2H2,(H2,18,19,20)(H2,12,13,16,17)/t4-,5+,6+/m0/s1
InChIKey: RTWWRSBEQVIVBY-KVQBGUIXSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O)n2cnc3C(=O)NC(=O)Nc23
OpenEye OEToolkits 1.7.6c1nc2c(n1C3CC(C(O3)COP(=O)(O)O)O)NC(=O)NC2=O
ACDLabs 12.01O=P(O)(O)OCC3OC(n1cnc2c1NC(=O)NC2=O)CC3O
CACTVS 3.385O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2cnc3C(=O)NC(=O)Nc23
OpenEye OEToolkits 1.7.6c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)NC(=O)NC2=O
Name:2'-DEOXY-XANTHOSINE-5'-MONOPHOSPHATE;
2'-deoxy-5'-2,3-dihydroxanthylic acid
ZINC: ZINC000013507076
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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