BioLiP

PDB

BioLiP

PDB CCD ID:

OAF

Number of entries in BioLiP:

Chemical formula:

C4 H4 F2 O6

InChI:

InChI=1S/C4H4F2O6/c5-3(6,1(7)8)4(11,12)2(9)10/h11-12H,(H,7,8)(H,9,10)

InChIKey:

PNUBNHHFDUCRFW-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	FC(F)(C(=O)O)C(O)(O)C(=O)O
CACTVS 3.341	OC(=O)C(O)(O)C(F)(F)C(O)=O
OpenEye OEToolkits 1.5.0	C(=O)(C(C(C(=O)O)(F)F)(O)O)O

Name:

2,2-difluoro-3,3-dihydroxybutanedioic 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).