| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:38 UTC |
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| Update Date | 2025-03-25 01:01:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02248549 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C5H9N3O4 |
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| Molecular Mass | 175.0593 |
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| SMILES | N=CNC(CC[N+](=O)[O-])C(=O)O |
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| InChI Key | HTDAYWNFUWWFSF-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 | c-nitro compoundscarbonyl compoundscarboximidamidescarboxylic acidsformamidineshydrocarbon derivativesiminesmonocarboxylic acids and derivativesnitro fatty acidsorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidimineallyl-type 1,3-dipolar organic compoundfatty acidamidineorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundnitro fatty acidorganic oxidec-nitro compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic oxoazaniumorganic 1,3-dipolar compoundcarboximidamideformamidinemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundorganic hyponitrite |
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