| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:49 UTC |
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| Update Date | 2025-03-21 18:38:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00121944 |
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| Frequency | 32.0 |
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| Structure | |
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| Chemical Formula | C8H13NO4S |
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| Molecular Mass | 219.0565 |
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| SMILES | CSCCC(NC(=O)C(C)=O)C(=O)O |
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| InChI Key | CDGHAOUMHYTRDZ-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 | methionine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidscarboxylic acidsdialkylthioethershydrocarbon derivativesketonesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty acidorganosulfur compoundketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativessulfenyl compoundn-acyl-alpha-amino aciddialkylthioethercarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioethermethionine or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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