| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-21 00:10:17 UTC |
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| Update Date | 2025-03-21 18:31:37 UTC |
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| HMDB ID | HMDB0256295 |
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| Metabolite Identification |
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| DeepMet ID | DMID00086752 |
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| Name | Amyl nitrate |
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| Frequency | 32.8 |
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| Structure | |
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| Chemical Formula | C5H11NO3 |
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| Molecular Mass | 133.0739 |
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| SMILES | CCCCCO[N+](=O)[O-] |
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| InChI Key | HSNWZBCBUUSSQD-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | organic nitric acids and derivatives |
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| Subclass | nitrate esters |
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| Direct Parent | nitrate esters |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkyl nitrateshydrocarbon derivativesorganic nitro compoundsorganic nitrogen compoundsorganic oxidesorganooxygen compounds |
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| Substituents | aliphatic acyclic compoundorganic nitratenitrate esterallyl-type 1,3-dipolar organic compoundorganic 1,3-dipolar compoundorganic nitro compoundorganic oxideorganic oxygen compoundalkyl nitratehydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundorganic hyponitrite |
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