BioLiP

PDB

BioLiP

PDB CCD ID:

O45

Number of entries in BioLiP:

Chemical formula:

C6 H9 N O4

InChI:

InChI=1S/C6H9NO4/c1-4(2)3-11-7-5(8)6(9)10/h1,3H2,2H3,(H,7,8)(H,9,10)

InChIKey:

GDURBQSLKIXQCN-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(=C)CONC(=O)C(O)=O
OpenEye OEToolkits 2.0.7	CC(=C)CONC(=O)C(=O)O

Name:

2-(2-methylprop-2-enoxyamino)-2-oxidanylidene-ethanoic 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).