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BioLiP Library

PDB CCD ID: 9O4
Number of entries in BioLiP: 0
Chemical formula: C9 H12 N5 O5 P
InChI: InChI=1S/C9H12N5O5P/c10-8-7-9(12-3-11-8)14(4-13-7)6-1-5(2-18-6)19-20(15,16)17/h3-6H,1-2H2,(H2,10,11,12)(H2,15,16,17)/t5-,6-/m1/s1
InChIKey: SRZMSIWIQAVZRP-PHDIDXHHSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1ncnc2n(cnc12)[C@H]3C[C@H](CO3)O[P](O)(O)=O
ACDLabs 12.01c3nc1c(ncn1C2CC(OP(O)(=O)O)CO2)c(N)n3
OpenEye OEToolkits 2.0.6c1nc(c2c(n1)n(cn2)C3CC(CO3)OP(=O)(O)O)N
OpenEye OEToolkits 2.0.6c1nc(c2c(n1)n(cn2)[C@H]3C[C@H](CO3)OP(=O)(O)O)N
CACTVS 3.385Nc1ncnc2n(cnc12)[CH]3C[CH](CO3)O[P](O)(O)=O
Name:(3R,5R)-5-(6-amino-9H-purin-9-yl)oxolan-3-yl dihydrogen phosphate
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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