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BioLiP

PDB CCD ID: RD3
Number of entries in BioLiP: 4
Chemical formula: C7 H11 O10 P3
InChI: InChI=1S/C7H11O10P3/c8-18(9,10)7(19(11,12)13)5-1-3-6(4-2-5)17-20(14,15)16/h1-4,7H,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)
InChIKey: UEGWOUOGLFXILR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O[P](O)(=O)Oc1ccc(cc1)C([P](O)(O)=O)[P](O)(O)=O
ACDLabs 12.01C(c1ccc(cc1)OP(=O)(O)O)(P(=O)(O)O)P(=O)(O)O
OpenEye OEToolkits 2.0.6c1cc(ccc1C(P(=O)(O)O)P(=O)(O)O)OP(=O)(O)O
Name:{[4-(phosphonooxy)phenyl]methylene}bis(phosphonic acid)
ChEMBL: CHEMBL4300669
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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