| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:19:19 UTC |
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| Update Date | 2025-03-25 01:00:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02245513 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H15NO3S |
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| Molecular Mass | 205.0773 |
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| SMILES | CCN(C=O)C(CCSC)C(=O)O |
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| InChI Key | YQWLJQFTXGDZDF-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 acidsdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesn-formyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundstertiary carboxylic acid amidesthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty acidorganosulfur compoundorganic oxidetertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundsulfenyl compounddialkylthioethercarboxamide groupmonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundn-formyl-alpha-amino acidthioethermethionine or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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