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BioLiP

PDB CCD ID: IG2
Number of entries in BioLiP: 25
Chemical formula: C6 H11 N2 O6 P
InChI: InChI=1S/C6H11N2O6P/c9-5(2-14-15(11,12)13)6(10)4-1-7-3-8-4/h1,3,5-6,9-10H,2H2,(H,7,8)(H2,11,12,13)/t5-,6-/m0/s1
InChIKey: HFYBTHCYPKEDQQ-WDSKDSINSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1c([nH]cn1)C(C(COP(=O)(O)O)O)O
OpenEye OEToolkits 1.7.6c1c([nH]cn1)[C@@H]([C@H](COP(=O)(O)O)O)O
CACTVS 3.385O[CH](CO[P](O)(O)=O)[CH](O)c1[nH]cnc1
CACTVS 3.385O[C@@H](CO[P](O)(O)=O)[C@@H](O)c1[nH]cnc1
ACDLabs 12.01O=P(O)(O)OCC(O)C(O)c1cncn1
Name:(2S,3S)-2,3-dihydroxy-3-(1H-imidazol-5-yl)propyl 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).
  • 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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