| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:16 UTC |
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| Update Date | 2025-03-25 00:56:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220497 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H24N2O3S5 |
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| Molecular Mass | 416.039 |
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| SMILES | CSCCC(NC(=S)CSC(=S)NCCCCS(C)=O)C(=O)O |
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| InChI Key | FQBSXQKCAZWPAK-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 acidscarbonyl compoundscarboxylic acidsdialkylthioethersdithiocarbamic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundssulfinyl compoundssulfoxidesthia fatty acidsthioamidesthiocarbonyl compoundsthiocarboxylic acid amides |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidthiocarbonyl groupfatty acidorganosulfur compoundorganic oxidethioamidesulfinyl compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundsulfenyl compoundthiocarboxylic acid amidedialkylthioetherdithiocarbamic acid estermonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioethermethionine or derivativessulfoxidehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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