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BioLiP

PDB CCD ID: HN0
Number of entries in BioLiP: 0
Chemical formula: C19 H30 N5 O9 P
InChI: InChI=1S/C19H30N5O9P/c1-2-3-4-5-12-10(6-15(26)33-12)21-19-22-17-16(18(27)23-19)20-9-24(17)14-7-11(25)13(32-14)8-31-34(28,29)30/h9-15,25-26H,2-8H2,1H3,(H2,28,29,30)(H2,21,22,23,27)/t10-,11-,12-,13+,14+,15+/m0/s1
InChIKey: ITRPVFNWIAAYPZ-PKCACUDHSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=P(O)(O)OCC4OC(n1c2N=C(NC(=O)c2nc1)NC3C(OC(O)C3)CCCCC)CC4O
OpenEye OEToolkits 1.7.6CCCCC[C@H]1[C@H](C[C@@H](O1)O)NC2=Nc3c(ncn3[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O)C(=O)N2
OpenEye OEToolkits 1.7.6CCCCCC1C(CC(O1)O)NC2=Nc3c(ncn3C4CC(C(O4)COP(=O)(O)O)O)C(=O)N2
CACTVS 3.370CCCCC[CH]1O[CH](O)C[CH]1NC2=Nc3n(cnc3C(=O)N2)[CH]4C[CH](O)[CH](CO[P](O)(O)=O)O4
CACTVS 3.370CCCCC[C@@H]1O[C@@H](O)C[C@@H]1NC2=Nc3n(cnc3C(=O)N2)[C@H]4C[C@H](O)[C@@H](CO[P](O)(O)=O)O4
Name:2'-deoxy-N-[(2S,3S,5R)-5-hydroxy-2-pentyltetrahydrofuran-3-yl]guanosine 5'-(dihydrogen phosphate)
ZINC: ZINC000098209000
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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