| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 09:24:03 UTC |
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| Update Date | 2025-03-24 20:18:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01404532 |
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| Frequency | 0.9 |
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| Structure | |
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| Chemical Formula | C5H12NO3+ |
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| Molecular Mass | 134.0812 |
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| SMILES | CCCO[N+](=O)OCC |
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| InChI Key | IYZZNFCSTUCIHV-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organic oxoanionic compounds |
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| Subclass | organic nitrates |
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| Direct Parent | alkyl nitrates |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | hydrocarbon derivativesorganic cationsorganic nitric acids and derivativesorganic nitro compoundsorganic nitrogen compoundsorganic oxidesorganooxygen compounds |
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| Substituents | aliphatic acyclic compoundorganic oxideorganic nitric acid or derivativesalkyl nitratehydrocarbon derivativeorganic nitrogen compoundorganic cationorganooxygen compoundorganic nitro compound |
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