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Record Information |
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| Version |
1.0 |
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| Update Date |
1/22/2018 12:54:54 PM |
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Metabolite ID | PAMDB120245 |
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Identification |
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| Name: |
ethylnitronate |
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| Description: | A nitrogen oxoanion arising from deprotonation of nitroethane. |
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Structure |
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| Synonyms: | - aci-Nitroethane ion(1-)
- Ethanenitronate
- Nitroethane aci-anion
- Nitroethane anion
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Chemical Formula: |
C2H4NO2 |
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| Average Molecular Weight: |
74.059 |
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| Monoisotopic Molecular
Weight: |
75.03203 |
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| InChI Key: |
YERBBVNYIKLXDM-UHFFFAOYSA-N |
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| InChI: | InChI=1S/C2H4NO2/c1-2-3(4)5/h2H,1H3/q-1 |
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| CAS
number: |
Not Available |
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| IUPAC Name: | [ethylidene(oxido)-λ5-azanyl]oxidanide |
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Traditional IUPAC Name: |
Not Available |
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| SMILES: | CC=N(=O)[O-] |
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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of organic compounds known as c-nitro compounds. These are compounds having the nitro group, -NO2 (free valence on nitrogen), which is attached to carbon. |
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Kingdom |
Organic compounds |
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| Super Class | Organic 1,3-dipolar compounds |
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Class |
Allyl-type 1,3-dipolar organic compounds |
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| Sub Class | Organic nitro compounds |
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Direct Parent |
C-nitro compounds |
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| Alternative Parents |
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| Substituents |
- C-nitro compound
- Organic oxoazanium
- Organic nitrogen compound
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organic anion
- Aliphatic acyclic compound
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| Molecular Framework |
Aliphatic acyclic compounds |
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| External Descriptors |
- nitrogen oxoanion (CHEBI:55327)
- a small molecule (CPD-320)
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Physical Properties |
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| State: |
Not Available |
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| Charge: | -1 |
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Melting point: |
Not Available |
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| Experimental Properties: |
Not Available |
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| Predicted Properties |
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Biological Properties |
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| Cellular Locations: |
Not Available |
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| Reactions: | |
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Pathways: |
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Spectra |
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| Spectra: |
Not Available |
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References |
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| References: |
- Gadda G, Francis K (2010)Nitronate monooxygenase, a model for anionic flavin semiquinone intermediates in oxidative catalysis. Archives of biochemistry and biophysics 493, Pubmed: 19577534
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| Synthesis Reference: |
Not Available |
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| Material Safety Data Sheet (MSDS) |
Not Available |
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Links |
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| External Links: |
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