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BioLiP

PDB CCD ID: 9O3
Number of entries in BioLiP: 1
Chemical formula: C3 H3 F3 O4
InChI: InChI=1S/C3H3F3O4/c4-3(5,6)2(9,10)1(7)8/h9-10H,(H,7,8)
InChIKey: KWLJNSLMDANMQG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01C(C(C(O)=O)(O)O)(F)(F)F
CACTVS 3.385OC(=O)C(O)(O)C(F)(F)F
OpenEye OEToolkits 2.0.6C(=O)(C(C(F)(F)F)(O)O)O
Name:3,3,3-trifluoro-2,2-dihydroxypropanoic acid
ZINC: ZINC000033388485
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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