| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:17 UTC |
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| Update Date | 2025-03-21 18:40:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00130105 |
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| Frequency | 19.5 |
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| Structure | |
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| Chemical Formula | C9H15N3O7 |
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| Molecular Mass | 277.091 |
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| SMILES | NC(CCC(=O)NC(CC[N+](=O)[O-])C(=O)O)C(=O)O |
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| InChI Key | OSPNUQUQEDIEQJ-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 | dipeptides |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidsc-nitro compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesglutamine and derivativeshydrocarbon derivativesmonoalkylaminesn-acyl aminesn-acyl-alpha amino acidsnitro fatty acidsorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidglutamine or derivativesallyl-type 1,3-dipolar organic compoundfatty amidefatty acidalpha-amino acid or derivativesorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundnitro fatty acidorganic oxidec-nitro compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic oxoazaniumn-acyl-alpha amino acid or derivativesn-acyl-alpha-amino acidorganic 1,3-dipolar compoundcarboxamide groupn-acyl-aminealpha-dipeptidesecondary carboxylic acid amideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundorganic hyponitrite |
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