| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:13 UTC |
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| Update Date | 2025-03-21 18:41:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00134560 |
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| Frequency | 18.7 |
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| Structure | |
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| Chemical Formula | C5H7NO5 |
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| Molecular Mass | 161.0324 |
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| SMILES | O=C(O)CCC(O)=C[N+](=O)[O-] |
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| InChI Key | LIOURPDNIRTQPM-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 | c-nitro compoundscarbonyl compoundscarboxylic acidsfatty acylshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundsshort-chain hydroxy acids and derivatives |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidallyl-type 1,3-dipolar organic compoundorganic 1,3-dipolar compoundcarboxylic acid derivativeorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundnitro fatty acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundc-nitro compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativehydroxy fatty acidorganic nitrogen compoundorganic oxoazaniumorganooxygen compoundorganic hyponitrite |
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