| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:04:52 UTC |
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| Update Date | 2025-03-21 18:28:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00073827 |
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| Frequency | 40.3 |
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| Structure | |
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| Chemical Formula | C4H6NO5+ |
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| Molecular Mass | 148.024 |
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| SMILES | O=C(O)C(=O)CC[N+](=O)O |
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| InChI Key | WKTPQUZWCNEPPQ-UHFFFAOYSA-O |
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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 | alpha-hydroxy ketonesalpha-keto acids and derivativesc-nitro compoundscarboxylic acidsfatty acylshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundsshort-chain keto acids and derivatives |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidallyl-type 1,3-dipolar organic compoundshort-chain keto acidalpha-hydroxy ketonecarboxylic acid derivativeorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundketonenitro fatty acidorganic oxidec-nitro compoundorganonitrogen compoundalpha-keto acidorganopnictogen compoundorganic oxoazaniumorganic 1,3-dipolar compoundmonocarboxylic acid or derivativesorganic oxygen compoundketo acidhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundorganic hyponitrite |
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