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

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The Swiss Initiative in Systems Biology

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2-nitropropane

Properties

Image

Occurences in reactions

MNX_ID

MNXM9868

Image of MNXM9868

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	1

formula

C₃H₇NO₂

charge

0

mass

89.04768

reference

InChIKey

FGLBSLMDCBOPQK-UHFFFAOYSA-N

InChI

InChI=1S/C3H7NO2/c1-3(2)4(5)6/h3H,1-2H3

SMILES

CC(C)[N+](=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:16037 chebi:16037	2-nitropropane 2-Nitropropane dimethylnitromethane i-C3H7NO2 isonitropropane sec-nitropropane
bigg.metabolite:n2ppn biggM:n2ppn sabiork.compound:6010 sabiorkM:6010 envipath:...0251fcf0bdf6 envipathM:...0251fcf0bdf6 kegg.compound:C02116 keggC:C02116	2-Nitropropane
seed.compound:cpd01433 seedM:cpd01433	2-Nitropropane 2-nitro-propane 2-nitropropane beta-nitropropane dimethylnitromethane isonitro propane isonitropropane n2ppn nitroisopropane propane, 2-nitro- sec-nitropropane
metacyc.compound:CPD-244 metacycM:CPD-244	2-nitropropane 2-nitro-propane beta-nitropropane dimethylnitromethane isonitro propane isonitropropane nitroisopropane sec-nitropropane
chebi:11632 chebi:1226 chebi:19727 chebi:44443 biggM:M_n2ppn keggC:M_C02116 seedM:M_cpd01433	secondary/obsolete/fantasy identifier