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BioLiP

PDB CCD ID: 3R3
Number of entries in BioLiP: 1
Chemical formula: C5 H14 N O13 P3
InChI: InChI=1S/C5H14NO13P3/c7-3-2(1-17-22(14,15)16)18-5(4(3)8)19-21(12,13)6-20(9,10)11/h2-5,7-8H,1H2,(H2,14,15,16)(H4,6,9,10,11,12,13)/t2-,3-,4-,5-/m1/s1
InChIKey: FCRMTSGXHCKCEX-TXICZTDVSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2C(C1C(C(C(O1)OP(=O)(NP(=O)(O)O)O)O)O)OP(=O)(O)O
CACTVS 3.385O[C@H]1[C@@H](O)[C@H](O[C@@H]1CO[P](O)(O)=O)O[P](O)(=O)N[P](O)(O)=O
OpenEye OEToolkits 1.9.2C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(NP(=O)(O)O)O)O)O)OP(=O)(O)O
CACTVS 3.385O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)O[P](O)(=O)N[P](O)(O)=O
Name:[[[(2R,3R,4S,5R)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]oxy-oxidanyl-phosphoryl]amino]phosphonic acid
ZINC: ZINC000301054532
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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