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CHEBI:180668 - 3-methyl-1-nitrobutane
| Formula | C5H11NO2 |
| Net Charge | 0 |
| Average Mass | 117.148 |
| Monoisotopic Mass | 117.07898 |
| SMILES | CC(C)CC[N+](=O)[O-] |
| InChI | InChI=1S/C5H11NO2/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3 |
| InChIKey | FEJLPMVSVDSKHJ-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Solanum lycopersicum (ncbitaxon:4081) | fruit (BTO:0000486) | DOI (10.1021/bk-1989-0388.ch017) | |
| Juglans (ncbitaxon:16718) | - | DOI (10.1021/jf000288b) | Strain: Hartley variety |
| Oenothera biennis (ncbitaxon:3942) | leaf (BTO:0000713) | PubMed (29488452) |
| Roles Classification |
|---|
| Biological Role: | 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 Relation(s) |
| 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 | Source |
|---|---|
| 2-methyl-4-nitrobutane | ChEBI |
| nitro-3-methylbutane | NIST Chemistry WebBook |
| 1-nitro-3-methylbutane | NIST Chemistry WebBook |
| 4-nitro-2-methylbutane | ChEBI |
| Citations |
|---|