| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 16:36:51 UTC |
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| Update Date | 2025-03-25 01:30:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02424578 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C5H7NO4 |
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| Molecular Mass | 145.0375 |
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| SMILES | CC(C)=C(C(=O)O)[N+](=O)[O-] |
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| InChI Key | QUZRQMJGUVGIKH-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 | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | c-nitro compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmethyl-branched fatty acidsmonocarboxylic acids and derivativesnitro fatty acidsorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundsunsaturated fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidallyl-type 1,3-dipolar organic compoundfatty acidorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundnitro fatty acidunsaturated fatty acidorganic oxidec-nitro compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic oxoazaniummethyl-branched fatty acidorganic 1,3-dipolar compoundbranched fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundorganic hyponitrite |
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