| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:18:56 UTC |
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| Update Date | 2025-03-25 01:00:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02244613 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H21NO3S2 |
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| Molecular Mass | 291.0963 |
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| SMILES | CCCCCC=CC(=O)SSCCC(N)C(=O)O |
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| InChI Key | RVSRXWZNPYOIFA-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 | carbonyl compoundscarboxylic acidsfatty acylshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic disulfidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundsthia fatty acidsthiocarboxylic acids and derivativesthiolactones |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupthiocarboxylic acid or derivativescarboxylic acidsulfenyl compoundorganosulfur compoundorganic oxidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundorganic disulfideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundthiolactoneorganooxygen compound |
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