BioLiP

PDB

BioLiP

PDB CCD ID:

7QH

Number of entries in BioLiP:

Chemical formula:

C4 H4 F3 N3 O3

InChI:

InChI=1S/C4H4F3N3O3/c5-4(6,7)1(2(11)12)9-10-3(8)13/h(H,11,12)(H3,8,10,13)/b9-1+

InChIKey:

FPZRQHLDHOFSAY-XLUWADSXSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C(=NNC(=O)N)(C(=O)O)C(F)(F)F
CACTVS 3.385	NC(=O)NN=C(C(O)=O)C(F)(F)F
CACTVS 3.385	NC(=O)N/N=C(C(O)=O)/C(F)(F)F
ACDLabs 12.01	O=C(N)N\N=C(/C(=O)O)C(F)(F)F

Name:

(2E)-2-(2-carbamoylhydrazinylidene)-3,3,3-trifluoropropanoic 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).