| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:21:04 UTC |
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| Update Date | 2025-03-21 18:36:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00112911 |
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| Frequency | 23.5 |
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| Structure | |
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| Chemical Formula | C14H25N5O7S |
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| Molecular Mass | 407.1475 |
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| SMILES | NCCCCC(NC(=O)C(CSN=O)NC(=O)CCC(N)C(=O)O)C(=O)O |
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| InChI Key | RMLUTNNXEHUVDU-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 | oligopeptides |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidscarbonyl compoundscarboxylic acidscysteine and derivativesdicarboxylic acids and derivativesglutamine and derivativeshydrocarbon derivativesmedium-chain fatty acidsmonoalkylaminesn-acyl aminesn-acyl-alpha amino acidsnitrosothiolsorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidglutamine or derivativesfatty amidefatty acidalpha-amino acid or derivativesorganosulfur compoundnitrosothiolorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidorganic s-nitroso compoundn-acyl-alpha amino acid or derivativesorganic nitroso compoundsulfenyl compoundalpha-amino acid amiden-acyl-alpha-amino acidcarboxamide groupn-acyl-aminen-substituted-alpha-amino acidsecondary carboxylic acid amideorganic oxygen compoundcysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic aminealpha-oligopeptideorganic nitrogen compoundorganooxygen compoundnitrosothiol-group |
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