BioLiP

PDB

BioLiP

PDB CCD ID:

3EG

Number of entries in BioLiP:

Chemical formula:

C4 H6 F3 N O2

InChI:

InChI=1S/C4H6F3NO2/c5-4(6,7)1-2(8)3(9)10/h2H,1,8H2,(H,9,10)/t2-/m0/s1

InChIKey:

AQPCXCOPDSEKQT-REOHCLBHSA-N

SMILES:

Software	SMILES
CACTVS 3.370	N[CH](CC(F)(F)F)C(O)=O
ACDLabs 12.01	FC(F)(F)CC(N)C(=O)O
OpenEye OEToolkits 1.7.2	C(C(C(=O)O)N)C(F)(F)F
CACTVS 3.370	N[C@@H](CC(F)(F)F)C(O)=O
OpenEye OEToolkits 1.7.2	C([C@@H](C(=O)O)N)C(F)(F)F

Name:

(2S)-2-amino-4,4,4-trifluorobutanoic acid

ZINC:

ZINC000001607502

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).