| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:05 UTC |
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| Update Date | 2025-03-25 00:47:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162609 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H8NO8+ |
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| Molecular Mass | 222.0244 |
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| SMILES | O=C(O)CC(O)(CC(=O)[N+](=O)O)C(=O)O |
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| InChI Key | OQKQGRYQKGXOIQ-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 acids and derivativesbranched fatty acidsc-nitro compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundsshort-chain hydroxy acids and derivativestertiary alcohols |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidalpha-hydroxy acidallyl-type 1,3-dipolar organic compoundcarboxylic acid derivativeorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundnitro fatty acidorganic oxidec-nitro compoundorganonitrogen compoundorganopnictogen compoundhydroxy fatty acidorganic oxoazaniumalcoholorganic 1,3-dipolar compoundhydroxy acidbranched fatty acidtertiary alcoholorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundorganic hyponitrite |
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