| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:47 UTC |
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| Update Date | 2025-03-21 18:39:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00124133 |
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| Frequency | 20.7 |
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| Structure | |
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| Chemical Formula | C12H21NO3S2 |
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| Molecular Mass | 291.0963 |
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| SMILES | O=C(O)CNC(=O)CCCCCCC1CCSS1 |
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| InChI Key | PGEOSNJCGNMDJS-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 heteromonocyclic compounds |
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| Alternative Parents | 1,2-dithiolanesalpha amino acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesn-acyl aminesorganic disulfidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidfatty amide1,2-dithiolaneorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundcarboxamide groupn-acyl-aminen-acylglycinesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compounddithiolaneorganic disulfidehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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