NOE

NITROSOETHANE

Created:	2003-02-05
Last modified:	2011-06-04

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4 entries where NOE is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	9
Chiral Atom Count	0
Bond Count	8
Aromatic Bond Count	0

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Chemical Component Summary
Name	NITROSOETHANE
Systematic Name (OpenEye OEToolkits)	nitrosoethane
Formula	C₂ H₅ N O
Molecular Weight	59.067
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=NCC
SMILES	CACTVS	3.341	CCN=O
SMILES	OpenEye OEToolkits	1.5.0	CCN=O
Canonical SMILES	CACTVS	3.341	CCN=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCN=O
InChI	InChI	1.03	InChI=1S/C2H5NO/c1-2-3-4/h2H2,1H3
InChIKey	InChI	1.03	IFYCAQIXDKZDTB-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB02646
Name	Nitrosoethane
Groups	experimental
Synonyms	Nitrosoethane
CAS number	925-91-7

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Myoglobin	MGLSDGEWQLVLNVWGKVEADIPGHGQEVLIRLFKGHPETLEKFDKFKHL...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682