L9I

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

Created:	2022-06-29
Last modified:	2023-03-01

Find Related PDB Entry
6 entries where L9I is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	20
Chiral Atom Count	0
Bond Count	19
Aromatic Bond Count	0

2D diagram of L9I

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	ethyl (2Z)-2-hydroxyimino-3-oxidanylidene-butanoate
Systematic Name (OpenEye OEToolkits)	ethyl (2~{Z})-2-hydroxyimino-3-oxidanylidene-butanoate
Formula	C₆ H₉ N O₄
Molecular Weight	159.14
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCOC(=O)C(=NO)C(C)=O
SMILES	OpenEye OEToolkits	2.0.7	CCOC(=O)C(=NO)C(=O)C
Canonical SMILES	CACTVS	3.385	CCOC(=O)C(=N/O)\C(C)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCOC(=O)/C(=N\O)/C(=O)C
InChI	InChI	1.06	InChI=1S/C6H9NO4/c1-3-11-6(9)5(7-10)4(2)8/h10H,3H2,1-2H3/b7-5-
InChIKey	InChI	1.06	IACSYDRIOYGJNH-ALCCZGGFSA-N

Related Resource References

Resource Name	Reference
PubChem	6400540

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.