| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:09 UTC |
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| Update Date | 2025-03-25 00:49:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02176557 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H21N3O7S |
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| Molecular Mass | 363.11 |
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| SMILES | CC(=O)CC(NC(=O)C(CS)NC(=O)CCC(N)C(=O)O)C(=O)O |
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| InChI Key | NRWFNGNNYLULBB-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 | alkylthiolsalpha amino acid amidesalpha amino acidscarboxylic acidscysteine and derivativesdicarboxylic acids and derivativesgamma-keto acids and derivativesglutamine and derivativeshydrocarbon derivativesketonesmonoalkylaminesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundssecondary carboxylic acid amidesshort-chain keto acids and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidglutamine or derivativesfatty amideshort-chain keto acidalpha-amino acid or derivativesorganosulfur compoundketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativesalpha-amino acid amiden-acyl-alpha-amino acidcarboxamide groupn-acyl-aminen-substituted-alpha-amino acidgamma-keto acidsecondary carboxylic acid amideorganic oxygen compoundketo acidcysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic aminealpha-oligopeptideorganic nitrogen compoundalkylthiolorganooxygen compound |
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