| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-21 00:27:28 UTC |
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| Update Date | 2025-03-21 18:40:02 UTC |
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| HMDB ID | HMDB0246535 |
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| Metabolite Identification |
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| DeepMet ID | DMID00128190 |
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| Name | 4-Nitroimidazole |
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| Frequency | 31.6 |
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| Structure | |
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| Chemical Formula | C3H3N3O2 |
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| Molecular Mass | 113.0225 |
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| SMILES | O=[N+]([O-])c1c[nH]cn1 |
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| InChI Key | VYDWQPKRHOGLPA-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | azoles |
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| Subclass | imidazoles |
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| Direct Parent | nitroimidazoles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsnitroaromatic compoundsorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | nitroaromatic compoundaromatic heteromonocyclic compoundazacycleheteroaromatic compoundallyl-type 1,3-dipolar organic compoundorganic 1,3-dipolar compoundorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideorganic oxygen compoundnitroimidazolec-nitro compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic oxoazaniumimidolactamorganic hyponitrite |
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