| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:16 UTC |
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| Update Date | 2025-03-25 01:01:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02247731 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H15NO5S |
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| Molecular Mass | 249.0671 |
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| SMILES | CCC(=O)OC(=O)NC(CCSC)C(=O)O |
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| InChI Key | BJTDUGCRSNMXKP-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 acidscarbonyl compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarbonic acid derivativecarboxylic acidsulfenyl compounddialkylthioetherfatty acidorganosulfur compoundorganic oxidethia fatty acidorganic oxygen compoundthioethermethionine or derivativesorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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