| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:44:13 UTC |
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| Update Date | 2025-03-21 18:00:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00024797 |
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| Frequency | 156.6 |
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| Structure | |
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| Chemical Formula | C4H7NO5 |
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| Molecular Mass | 149.0324 |
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| SMILES | O=C(O)CC(O)C[N+](=O)[O-] |
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| InChI Key | KFFXIVKGXAWZAA-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acids and conjugates |
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| Direct Parent | nitro fatty acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | beta hydroxy acids and derivativesc-nitro compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary alcoholsshort-chain hydroxy acids and derivatives |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidallyl-type 1,3-dipolar organic compoundcarboxylic acid derivativeorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundnitro fatty acidbeta-hydroxy acidorganic oxidec-nitro compoundorganonitrogen compoundorganopnictogen compoundhydroxy fatty acidorganic oxoazaniumalcoholorganic 1,3-dipolar compoundhydroxy acidmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundorganic hyponitrite |
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