| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:17 UTC |
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| Update Date | 2025-03-25 00:50:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179144 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H17NO3S2 |
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| Molecular Mass | 251.065 |
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| SMILES | CSSCCCCCC(=O)NCC(=O)O |
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| InChI Key | TVMFWHWYJSAROK-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 | alpha amino acidscarbonyl compoundscarboxylic acidsdialkyldisulfideshydrocarbon derivativesmonocarboxylic acids and derivativesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty amideorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundsulfenyl compoundcarboxamide groupn-acyl-aminen-acylglycinesecondary carboxylic acid amidedialkyldisulfidemonocarboxylic acid or derivativesorganic oxygen compoundorganic disulfidehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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