| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:49 UTC |
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| Update Date | 2025-03-25 00:57:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02226200 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C5H9NO5 |
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| Molecular Mass | 163.0481 |
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| SMILES | CC(O)(CCC(=O)O)[N+](=O)[O-] |
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| InChI Key | XRDXTWWAHCEAPH-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 | alkanolaminesc-nitro compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundsshort-chain hydroxy acids and derivatives |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain 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 oxoazaniumalkanolaminemethyl-branched fatty acidorganic 1,3-dipolar compoundbranched fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundorganic hyponitrite |
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