| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:37:48 UTC |
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| Update Date | 2025-03-21 17:57:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00010367 |
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| Frequency | 455.8 |
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| Structure | |
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| Chemical Formula | C12H21N3O6 |
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| Molecular Mass | 303.143 |
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| SMILES | CC(=O)NC(CC(=O)O)C(=O)NC(CCCCN)C(=O)O |
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| InChI Key | NPZFVESDSVBSML-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 | acetamidesalpha amino acid amidesalpha amino acidsamino fatty acidsaspartic acid and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmedium-chain fatty acidsmonoalkylaminesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty amidefatty acidalpha-amino acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidacetamiden-acyl-alpha amino acid or derivativesalpha-amino acid amiden-acyl-alpha-amino acidcarboxamide groupamino fatty acidn-acyl-aminen-substituted-alpha-amino acidalpha-dipeptidesecondary carboxylic acid amideorganic oxygen compoundaspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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