| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:12 UTC |
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| Update Date | 2025-03-25 00:55:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02213433 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C5H10N2O5 |
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| Molecular Mass | 178.059 |
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| SMILES | CN(CCO[N+](=O)[O-])CC(=O)O |
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| InChI Key | JNTAWFDIWJLKEU-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkyl nitratesamino acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesnitrate estersorganic nitro compoundsorganic oxidesorganopnictogen compoundstrialkylamines |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidallyl-type 1,3-dipolar organic compoundorganic nitro compoundorganic oxidealkyl nitratealpha-amino acidorganonitrogen compoundorganopnictogen compoundtertiary amineorganic nitric acid or derivativesorganic nitratenitrate estertertiary aliphatic amineorganic 1,3-dipolar compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compoundorganic hyponitrite |
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