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BioLiP

PDB CCD ID: FHC
Number of entries in BioLiP: 11
Chemical formula: C9 H6 F O3
InChI: InChI=1S/C9H7FO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-5,11H,(H,12,13)/p-1/b8-5+
InChIKey: SBIZDOWXYPNTOJ-VMPITWQZSA-M
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(ccc1\C=C(/C(=O)[O-])\F)O
ACDLabs 10.04[O-]C(=O)C(/F)=C\c1ccc(O)cc1
CACTVS 3.341Oc1ccc(cc1)\C=C(F)/C([O-])=O
CACTVS 3.341Oc1ccc(cc1)C=C(F)C([O-])=O
OpenEye OEToolkits 1.5.0c1cc(ccc1C=C(C(=O)[O-])F)O
Name:2-FLUORO-3-(4-HYDROXYPHENYL)-2E-PROPENEOATE;
(E)-2-FLUORO-P-HYDROXYCINNAMATE
DrugBank: DB02384
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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