| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:53 UTC |
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| Update Date | 2025-03-25 00:53:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02203241 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C4H6NO6+ |
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| Molecular Mass | 164.019 |
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| SMILES | O=C(O)CCC(=O)O[N+](=O)O |
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| InChI Key | NMZVSGJSPZBZKP-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 | acyl nitratescarbonyl compoundscarboxylic acid saltscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic cationsorganic nitric acids and derivativesorganic nitro compoundsorganic nitrogen compoundsorganic oxidesorganic salts |
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| Substituents | aliphatic acyclic compoundcarbonyl groupacyl nitratecarboxylic acidorganic nitric acid or derivativesorganic nitratecarboxylic acid derivativeorganic nitro compoundnitro fatty acidorganic oxideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganic cationorganic saltcarboxylic acid saltorganooxygen compound |
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