| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:23 UTC |
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| Update Date | 2025-03-25 01:01:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02247983 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H26N2O3S |
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| Molecular Mass | 290.1664 |
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| SMILES | CCCOC(=O)C(NC(=O)C(N)CCSC)C(C)C |
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| InChI Key | HZMFNBSKBIIPDK-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 | peptides |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acid estersalpha amino acidscarbonyl compoundscarboxylic acid estersdialkylthioethersfatty acid estershydrocarbon derivativesmethionine and derivativesmonoalkylaminesmonocarboxylic acids and derivativesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundsvaline and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupfatty amidealpha-amino acid or derivativesorganosulfur compoundalpha peptideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativessulfenyl compoundalpha-amino acid amidealpha-amino acid estern-acyl-alpha-amino aciddialkylthioethervaline or derivativescarboxamide groupn-acyl-aminesecondary carboxylic acid amidefatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundthioethercarboxylic acid estermethionine or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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