| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:48 UTC |
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| Update Date | 2025-03-21 18:03:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00045314 |
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| Frequency | 74.4 |
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| Structure | |
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| Chemical Formula | C4H5NO5 |
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| Molecular Mass | 147.0168 |
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| SMILES | O=C(O)CC(=O)C[N+](=O)[O-] |
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| InChI Key | YPAUDLKXYZLCAC-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 ketonesbeta-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 | beta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidallyl-type 1,3-dipolar organic compoundshort-chain keto acidcarboxylic acid derivativebeta-keto acidorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundketonenitro fatty acidorganic oxidec-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumorganic 1,3-dipolar compoundmonocarboxylic acid or derivativesorganic oxygen compoundketo acidhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundorganic hyponitrite |
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