BioLiP

PDB

BioLiP

PDB CCD ID:

O8R

Number of entries in BioLiP:

Chemical formula:

C7 H11 N O5

InChI:

InChI=1S/C7H11NO5/c1-5(9)6(8-11)7(10)13-4-3-12-2/h11H,3-4H2,1-2H3/b8-6-

InChIKey:

QNWLIKDDTJMEGE-VURMDHGXSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COCCOC(=O)\C(=N/O)C(C)=O
CACTVS 3.385	COCCOC(=O)C(=NO)C(C)=O
OpenEye OEToolkits 3.1.0.0	CC(=O)C(=NO)C(=O)OCCOC
OpenEye OEToolkits 3.1.0.0	CC(=O)/C(=N/O)/C(=O)OCCOC

Name:

2-methoxyethyl (2~{Z})-2-hydroxyimino-3-oxidanylidene-butanoate;
2-methoxyethyl (Z)-2-(hydroxyimino)-3-oxobutanoate

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).