| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:11:28 UTC |
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| Update Date | 2025-03-25 00:57:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02227641 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H13NO4S |
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| Molecular Mass | 207.0565 |
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| SMILES | CC(=O)NC(C(=O)S(=O)O)C(C)C |
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| InChI Key | IQXVMOZRBJKTBK-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acetamidesalpha amino acidscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundssecondary carboxylic acid amidessulfinic acidsthiolactonesvaline and derivatives |
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| Substituents | aliphatic acyclic compoundcarbonyl groupn-acyl-alpha-amino acidsulfinic acid derivativevaline or derivativesorganosulfur compoundcarboxamide groupsulfinic acidsecondary carboxylic acid amideorganic oxideorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundthiolactoneacetamideorganooxygen compound |
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