| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:01:22 UTC |
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| Update Date | 2025-03-21 18:06:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00065393 |
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| Frequency | 46.8 |
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| Structure | |
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| Chemical Formula | C6H13N3O4 |
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| Molecular Mass | 191.0906 |
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| SMILES | NC(CCCCN[N+](=O)[O-])C(=O)O |
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| InChI Key | ODYYROYJQVTXON-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 | carbonyl compoundscarboxylic acidshydrocarbon derivativesmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesnitraminesnitro fatty acidsorganic oxidesorganic oxoanionic compoundsorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidallyl-type 1,3-dipolar organic compoundfatty acidorganic nitro compoundnitro fatty acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidorganic 1,3-dipolar compoundmonocarboxylic acid or derivativesnitramineorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundorganic hyponitrite |
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