| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:02 UTC |
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| Update Date | 2025-03-25 00:59:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237899 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C5H9NO6 |
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| Molecular Mass | 179.043 |
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| SMILES | O=C(O)CC(O)CCO[N+](=O)[O-] |
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| InChI Key | PXCWVPYVDXMNHU-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 | alkyl nitratesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesnitrate estersorganic nitro compoundsorganic nitrogen compoundsorganic oxidessecondary alcoholsshort-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 compoundnitro fatty acidbeta-hydroxy acidorganic oxidealkyl nitratehydroxy fatty acidalcoholorganic nitric acid or derivativesorganic nitratenitrate esterorganic 1,3-dipolar compoundhydroxy acidmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundorganic hyponitrite |
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