| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:12:00 UTC |
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| Update Date | 2025-03-25 00:58:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02228801 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H23N3O5S3 |
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| Molecular Mass | 397.08 |
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| SMILES | CC(=O)NC(NCCCCS(C)=O)SCC(=S)C(=O)NCC(=O)O |
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| InChI Key | UTKSAVLWFBHCBB-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 | acyl glycines |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acetamidesalpha amino acidsamino acidscarbonyl compoundscarboxylic acidsdialkylaminesdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesn,s-acetalsorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundssulfinyl compoundssulfoxidesthioketones |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidthiocarbonyl grouporganosulfur compoundn,s-acetalorganic oxidesulfinyl compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundacetamidesecondary aliphatic aminesulfenyl compounddialkylthioethersecondary aminecarboxamide groupn-acylglycinesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundthioethersulfoxidethioketonehydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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