| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:06 UTC |
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| Update Date | 2025-03-25 00:46:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156032 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H13NO4S2 |
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| Molecular Mass | 251.0286 |
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| SMILES | CSCCC(=O)C(=O)NC(CS)C(=O)O |
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| InChI Key | KPVMUVWTDVYNEA-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkylthiolsalpha amino acidscarboxylic acidscysteine and derivativesdialkylthioethershydrocarbon derivativesketonesmonocarboxylic acids and derivativesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty amideorganosulfur compoundketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundsulfenyl compoundn-acyl-alpha-amino aciddialkylthioethercarboxamide groupn-acyl-aminesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundthioethercysteine or derivativeshydrocarbon derivativeorganic nitrogen compoundalkylthiolorganooxygen compound |
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