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> Main
CHEBI:180668 - 3-methyl-1-nitrobutane
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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
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Formula
C5H11NO2
Net Charge
0
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.
View more via ChEBI Ontology
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
Synonyms
Sources
1-nitro-3-methylbutane
NIST Chemistry WebBook
2-methyl-4-nitrobutane
ChEBI
4-nitro-2-methylbutane
ChEBI
nitro-3-methylbutane
NIST Chemistry WebBook
Manual Xref
Database
62604
ChemSpider
View more database links
Registry Numbers
Types
Sources
627-67-8
CAS Registry Number
NIST Chemistry WebBook
627-67-8
CAS Registry Number
ChemIDplus
Citations
Types
Sources
10898636
PubMed citation
Europe PMC
25391485
PubMed citation
Europe PMC
29488452
PubMed citation
Europe PMC
IND43824588
Agricola citation
Europe PMC
IND92043434
Agricola citation
Europe PMC
Last Modified
05 October 2021