| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:11:33 UTC |
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| Update Date | 2025-03-25 00:57:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02227801 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H15NO4S |
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| Molecular Mass | 245.0722 |
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| SMILES | CC(=O)C=C(C)SCC(NC(C)=O)C(=O)O |
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| InChI Key | MWSJQNBLLWMUBB-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 | acetamidesacryloyl compoundsalpha amino acidscarboxylic acidscysteine and derivativesenoneshydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundsthioenol ethersvinylogous thioesters |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidalpha,beta-unsaturated ketoneorganosulfur compoundketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundacetamideenonevinylogous thioestersulfenyl compoundn-acyl-alpha-amino acidcarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesthioenoletherorganic oxygen compoundcysteine or derivativeshydrocarbon derivativeacryloyl-grouporganic nitrogen compoundorganooxygen compound |
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