BioLiP

PDB

BioLiP

PDB CCD ID:

ABK

Number of entries in BioLiP:

Chemical formula:

C5 H7 F2 N O3

InChI:

InChI=1/C5H7F2NO3/c6-3(7)1-2(8)4(9)5(10)11/h2-3H,1,8H2,(H,10,11)/t2-/m0/s1/f/h10H

InChIKey:

SIDURDZMYAFRSX-YGDXHSIUDQ

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C([C@@H](C(=O)C(=O)O)N)C(F)F
ACDLabs 10.04	O=C(C(=O)O)C(N)CC(F)F
CACTVS 3.341	N[C@@H](CC(F)F)C(=O)C(O)=O
OpenEye OEToolkits 1.5.0	C(C(C(=O)C(=O)O)N)C(F)F
CACTVS 3.341	N[CH](CC(F)F)C(=O)C(O)=O

Name:

3-AMINO-5,5-DI-FLUORO-2-KETO-PENTAN-1-OIC ACID

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).