| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:56:33 UTC |
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| Update Date | 2025-03-25 00:52:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02193330 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H19NO3S |
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| Molecular Mass | 245.1086 |
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| SMILES | CCCCCC=CC(O)C(S)=NCC(=O)O |
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| InChI Key | JMAOKFJSBHOVMH-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 | alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkylthiolscarbonyl compoundscarboxylic acidshydrocarbon derivativesimidothioic acids and derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundspropargyl-type 1,3-dipolar organic compoundssecondary alcohols |
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| Substituents | alcoholaliphatic acyclic compoundcarbonyl groupcarboxylic acidorganic 1,3-dipolar compoundorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundimidothioic acid or derivativesalkylthiolorganooxygen compound |
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