| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:04 UTC |
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| Update Date | 2025-03-25 00:48:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02169444 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H26N2O3S |
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| Molecular Mass | 290.1664 |
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| SMILES | CCCCCCOC(S)=NCCCCC(N)C(=O)O |
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| InChI Key | SWBKBQZWZBSGSD-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 acidshydrocarbon derivativesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty acidorganic 1,3-dipolar compoundorganosulfur compoundmedium-chain hydroxy acidpropargyl-type 1,3-dipolar organic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativemedium-chain fatty acidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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