BioLiP

PDB

BioLiP

PDB CCD ID:

L9I

Number of entries in BioLiP:

Chemical formula:

C6 H9 N O4

InChI:

InChI=1S/C6H9NO4/c1-3-11-6(9)5(7-10)4(2)8/h10H,3H2,1-2H3/b7-5-

InChIKey:

IACSYDRIOYGJNH-ALCCZGGFSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCOC(=O)C(=N/O)\C(C)=O
OpenEye OEToolkits 2.0.7	CCOC(=O)/C(=N\O)/C(=O)C
CACTVS 3.385	CCOC(=O)C(=NO)C(C)=O
OpenEye OEToolkits 2.0.7	CCOC(=O)C(=NO)C(=O)C

Name:

ethyl (2Z)-2-hydroxyimino-3-oxidanylidene-butanoate

ZINC:

ZINC000012345800

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).