| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:09 UTC |
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| Update Date | 2025-03-21 18:39:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00127422 |
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| Frequency | 20.0 |
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| Structure | |
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| Chemical Formula | C5H13N2O3+ |
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| Molecular Mass | 149.0921 |
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| SMILES | C[N+](C)(C)CCO[N+](=O)[O-] |
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| InChI Key | BZKRACMUAUSOKR-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 nitratesamineshydrocarbon derivativesorganic cationsorganic nitro compoundsorganic oxidesorganic saltsorganooxygen compoundsorganopnictogen compoundstetraalkylammonium salts |
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| Substituents | aliphatic acyclic compoundtetraalkylammonium saltorganic nitratenitrate esterquaternary ammonium saltorganic nitro compoundorganic oxideorganic oxygen compoundalkyl nitrateorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationorganic saltamineorganooxygen compoundorganic hyponitrite |
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