| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:02:26 UTC |
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| Update Date | 2025-03-21 18:07:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00067972 |
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| Frequency | 44.6 |
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| Structure | |
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| Chemical Formula | C13H21NO5S2 |
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| Molecular Mass | 335.0861 |
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| SMILES | O=C(O)CCC(NC(=O)CCCCC1CCSS1)C(=O)O |
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| InChI Key | RIAHXAKSGTUVMS-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 | glutamic acid and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-dithiolanesalpha amino acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheterocyclic fatty acidshydrocarbon derivativeslipoamidesn-acyl aminesn-acyl-alpha amino acidsorganic disulfidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidheterocyclic fatty acidfatty amidefatty acid1,2-dithiolaneorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesn-acyl-alpha-amino acidglutamic acid or derivativescarboxamide groupn-acyl-aminesecondary carboxylic acid amideorganic oxygen compounddithiolaneorganic disulfidelipoamidedicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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