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BioLiP

PDB CCD ID: 9O0
Number of entries in BioLiP: 1
Chemical formula: C3 H3 F3 O3
InChI: InChI=1S/C3H3F3O3/c4-3(5,6)1(7)2(8)9/h1,7H,(H,8,9)/t1-/m1/s1
InChIKey: BVKGUTLIPHZYCX-PVQJCKRUSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6C(C(=O)O)(C(F)(F)F)O
CACTVS 3.385O[CH](C(O)=O)C(F)(F)F
OpenEye OEToolkits 2.0.6[C@@H](C(=O)O)(C(F)(F)F)O
ACDLabs 12.01OC(=O)C(C(F)(F)F)O
CACTVS 3.385O[C@H](C(O)=O)C(F)(F)F
Name:(2R)-3,3,3-trifluoro-2-hydroxypropanoic acid
ZINC: ZINC000005018516
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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