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BioLiP Library

PDB CCD ID: 9NO
Number of entries in BioLiP: 1
Chemical formula: C9 H8 F2 O4
InChI: InChI=1S/C9H8F2O4/c10-8(11,9(14,15)7(12)13)6-4-2-1-3-5-6/h1-5,14-15H,(H,12,13)
InChIKey: KXZATYZRTLHUGB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)C(O)(O)C(F)(F)c1ccccc1
ACDLabs 12.01O=C(O)C(C(c1ccccc1)(F)F)(O)O
OpenEye OEToolkits 2.0.6c1ccc(cc1)C(C(C(=O)O)(O)O)(F)F
Name:3,3-difluoro-2,2-dihydroxy-3-phenylpropanoic acid
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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