BioLiP

PDB

BioLiP

PDB CCD ID:

9O3

Number of entries in BioLiP:

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:

Software	SMILES
ACDLabs 12.01	C(C(C(O)=O)(O)O)(F)(F)F
CACTVS 3.385	OC(=O)C(O)(O)C(F)(F)F
OpenEye OEToolkits 2.0.6	C(=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, 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).