| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:09 UTC |
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| Update Date | 2025-03-25 00:46:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153873 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H19NO3S |
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| Molecular Mass | 221.1086 |
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| SMILES | CS(C)(C)CCCC(=O)NCC(=O)O |
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| InChI Key | CVVHNBQBCLOEFS-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 | acyl glycines |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty amideorganosulfur compoundcarboxamide groupn-acyl-aminen-acylglycinesecondary carboxylic acid amideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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