MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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nitroethane

	Properties	Image
MNX_ID	MNXM1364198
reference	chebi:16268
formula	C₂H₅NO₂
global charge	0
mol weight	75.067
InChIKey	MCSAJNNLRCFZED-UHFFFAOYSA-N
InChI	InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3
SMILES	CC[N+](=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C2H5NO2/c1-2-3(4)5/h2H2,1H3
SMILES (mnx)	[CH3:1][CH2:2][N+:3]([O-:4])=[O:5]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:16268 chebi:16268 MCSAJNNLRCFZED-UHFFFAOYSA-N	nitroethane 1-nitroethane Nitroethan Nitroethane
seed.compound:cpd18071 seedM:cpd18071 MCSAJNNLRCFZED-UHFFFAOYSA-N	Ethylnitronate aci-nitroethane ethylnitronate
sabiork.compound:5834 sabiorkM:5834 kegg.compound:C01837 keggC:C01837 MCSAJNNLRCFZED-UHFFFAOYSA-N	Nitroethane
hmdb:HMDB0255646 MCSAJNNLRCFZED-UHFFFAOYSA-N	Nitroethane 1-Nitroethane Ethylnitronate Nitroethan b-Lactam beta-lactam nitroethane
seed.compound:cpd01263 seedM:cpd01263 MCSAJNNLRCFZED-UHFFFAOYSA-N	Nitroethane nitroethane
metacyc.compound:CPD-12077 metacycM:CPD-12077 MCSAJNNLRCFZED-UHFFFAOYSA-N	nitroethane
chebi:116697 chebi:14659 chebi:25554 chebi:7589 keggC:M_C01837 seedM:M_cpd01263 seedM:M_cpd18071	secondary/obsolete/fantasy identifier