BioLiP

PDB

BioLiP

PDB CCD ID:

7QE

Number of entries in BioLiP:

Chemical formula:

C3 H2 F3 N O3

InChI:

InChI=1S/C3H2F3NO3/c4-3(5,6)1(7-10)2(8)9/h10H,(H,8,9)/b7-1-

InChIKey:

ABQHLJFPKHMBRJ-XFSBKJJWSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C(=NO)(C(=O)O)C(F)(F)F
CACTVS 3.385	O\N=C(\C(O)=O)C(F)(F)F
ACDLabs 12.01	FC(F)(F)C(=N\O)/C(O)=O
OpenEye OEToolkits 2.0.7	C(=N/O)(\C(=O)O)/C(F)(F)F
CACTVS 3.385	ON=C(C(O)=O)C(F)(F)F

Name:

(2Z)-3,3,3-trifluoro-2-(hydroxyimino)propanoic acid

ChEMBL:

CHEMBL4065995

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).