| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:44:13 UTC |
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| Update Date | 2025-03-21 18:00:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00024796 |
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| Frequency | 156.6 |
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| Structure | |
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| Chemical Formula | C5H11N2O4+ |
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| Molecular Mass | 163.0713 |
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| SMILES | NC(CCC[N+](=O)O)C(=O)O |
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| InChI Key | SBUJQIXWYYFLFY-UHFFFAOYSA-O |
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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 compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesnitro fatty acidsorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidallyl-type 1,3-dipolar organic compoundfatty acidorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundnitro fatty acidorganic oxidec-nitro compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic oxoazaniumorganic 1,3-dipolar compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundorganic hyponitrite |
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