3-methyl-1-nitrobutane (CHEBI:180668)

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ChEBI Name	3-methyl-1-nitrobutane

ChEBI ID	CHEBI:180668

Definition	A primary nitroalkane that is 2-methylbutane substituted by a nitro group at position 4. It is a herbivore-induced plant volatile found in the leaves of Oenothera biennis.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Naama Menda

Supplier Information

Download	Molfile XML SDF

Formula

C5H11NO2

Net Charge

Average Mass

117.148

Monoisotopic Mass

117.07898

InChI

InChI=1S/C5H11NO2/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3

InChIKey

FEJLPMVSVDSKHJ-UHFFFAOYSA-N

SMILES

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

Metabolite of Species	Details
Juglans (NCBI:txid16718)	of strain Hartley variety See: DOI
Oenothera biennis (NCBI:txid3942)	Found in leaf (BTO:0000713). See: PubMed
Solanum lycopersicum (NCBI:txid4081)	Found in fruit (BTO:0000486). See: DOI

Roles Classification
Biological Role(s):	plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

ChEBI Ontology
Outgoing	3-methyl-1-nitrobutane (CHEBI:180668) has role plant metabolite (CHEBI:76924) 3-methyl-1-nitrobutane (CHEBI:180668) is a primary nitroalkane (CHEBI:133972) 3-methyl-1-nitrobutane (CHEBI:180668) is a volatile organic compound (CHEBI:134179)

IUPAC Name

3-methyl-1-nitrobutane

Last Modified

05 October 2021