BioLiP

PDB

BioLiP

PDB CCD ID:

D6O

Number of entries in BioLiP:

Chemical formula:

C5 H5 N O4

InChI:

InChI=1S/C5H5NO4/c7-3-6-4(8)1-2-5(9)10/h1-3H,(H,9,10)(H,6,7,8)/b2-1-

InChIKey:

HSKSAKBZUITULZ-UPHRSURJSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)\C=C/C(=O)NC=O
OpenEye OEToolkits 2.0.7	C(=CC(=O)O)C(=O)NC=O
OpenEye OEToolkits 2.0.7	C(=C\C(=O)O)\C(=O)NC=O
CACTVS 3.385	OC(=O)C=CC(=O)NC=O

Name:

(~{Z})-4-formamido-4-oxidanylidene-but-2-enoic acid

ZINC:

ZINC000100084064

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).