BioLiP

PDB

BioLiP

PDB CCD ID:

BFM

Number of entries in BioLiP:

Chemical formula:

C4 H2 F6 O3

InChI:

InChI=1S/C4H2F6O3/c5-3(6,7)2(13,1(11)12)4(8,9)10/h13H,(H,11,12)

InChIKey:

CMQUGOHGJUTDGZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	FC(F)(F)C(O)(C(=O)O)C(F)(F)F
OpenEye OEToolkits 1.7.6	C(=O)(C(C(F)(F)F)(C(F)(F)F)O)O
CACTVS 3.370	OC(=O)C(O)(C(F)(F)F)C(F)(F)F

Name:

3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoic acid

ZINC:

ZINC000004240965

Reference:

Chengxin Zhang, Xi Zhang, Lydia 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).