| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:34 UTC |
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| Update Date | 2025-03-21 18:05:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00056387 |
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| Frequency | 65.0 |
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| Structure | |
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| Chemical Formula | C6H9NO5S |
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| Molecular Mass | 207.0201 |
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| SMILES | O=C(O)CC(NC(=O)CS)C(=O)O |
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| InChI Key | IOPJJFFNJXHRQO-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 | aspartic acid and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkylthiolsalpha amino acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesfatty acids and conjugateshydrocarbon derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundssecondary carboxylic acid amides |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidn-acyl-alpha-amino acidfatty acidorganosulfur compoundcarboxamide groupsecondary carboxylic acid amideorganic oxideorganic oxygen compoundaspartic acid or derivativesorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundalkylthiolorganooxygen compoundn-acyl-alpha amino acid or derivatives |
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