| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:53 UTC |
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| Update Date | 2025-03-25 00:53:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02203237 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H15NO7S |
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| Molecular Mass | 293.0569 |
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| SMILES | O=C(O)CCC(NC(=O)CCSCC(=O)O)C(=O)O |
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| InChI Key | GGHGUCRCJBMTKW-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 acyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundstricarboxylic acids and derivatives |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfenyl compoundn-acyl-alpha-amino aciddialkylthioethertricarboxylic acid or derivativesglutamic acid or derivativesorganosulfur compoundcarboxamide groupsecondary carboxylic acid amideorganic oxideorganic oxygen compoundthioetherorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundn-acyl-alpha amino acid or derivatives |
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