BioLiP

PDB

BioLiP

PDB CCD ID:

O8I

Number of entries in BioLiP:

Chemical formula:

C7 H11 N O4

InChI:

InChI=1S/C7H11NO4/c1-3-5(9)6(8-11)7(10)12-4-2/h11H,3-4H2,1-2H3/b8-6-

InChIKey:

FOGXVRUMMPWXRL-VURMDHGXSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCOC(=O)\C(=N/O)C(=O)CC
CACTVS 3.385	CCOC(=O)C(=NO)C(=O)CC
OpenEye OEToolkits 3.1.0.0	CCC(=O)/C(=N/O)/C(=O)OCC
OpenEye OEToolkits 3.1.0.0	CCC(=O)C(=NO)C(=O)OCC

Name:

ethyl (2~{Z})-2-hydroxyimino-3-oxidanylidene-pentanoate;
ethyl (Z)-2-(hydroxyimino)-3-oxopentanoate

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).