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BioLiP

PDB CCD ID: OAF
Number of entries in BioLiP: 15
Chemical formula: C4 H4 F2 O6
InChI: InChI=1S/C4H4F2O6/c5-3(6,1(7)8)4(11,12)2(9)10/h11-12H,(H,7,8)(H,9,10)
InChIKey: PNUBNHHFDUCRFW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04FC(F)(C(=O)O)C(O)(O)C(=O)O
CACTVS 3.341OC(=O)C(O)(O)C(F)(F)C(O)=O
OpenEye OEToolkits 1.5.0C(=O)(C(C(C(=O)O)(F)F)(O)O)O
Name:2,2-difluoro-3,3-dihydroxybutanedioic 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).
  • 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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