BioLiP

PDB

BioLiP

PDB CCD ID:

9O0

Number of entries in BioLiP:

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:

Software	SMILES
OpenEye OEToolkits 2.0.6	C(C(=O)O)(C(F)(F)F)O
CACTVS 3.385	O[CH](C(O)=O)C(F)(F)F
OpenEye OEToolkits 2.0.6	[C@@H](C(=O)O)(C(F)(F)F)O
ACDLabs 12.01	OC(=O)C(C(F)(F)F)O
CACTVS 3.385	O[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, 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).