| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:02 UTC |
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| Update Date | 2025-03-21 18:03:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00043403 |
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| Frequency | 78.3 |
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| Structure | |
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| Chemical Formula | C7H15NO2S |
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| Molecular Mass | 177.0824 |
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| SMILES | CSCCC(C(=O)O)N(C)C |
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| InChI Key | FLEXUHXAXRFRAU-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 acidsamino acidscarbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundssulfenyl compoundsthia fatty acidstrialkylamines |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidfatty acidorganosulfur compoundorganic oxidealpha-amino acidorganonitrogen compoundorganopnictogen compoundtertiary aminesulfenyl compounddialkylthioethertertiary aliphatic aminemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioethermethionine or derivativeshydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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