| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:14 UTC |
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| Update Date | 2025-03-25 00:50:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179051 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H24N4O3S |
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| Molecular Mass | 304.1569 |
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| SMILES | CSCCC(N)C(=O)NC(=N)NC(CC(C)C)C(=O)O |
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| InChI Key | OXKROBPPOHETBJ-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 | leucine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidscarbonyl compoundscarboximidamidescarboxylic acidsdialkylthioethersguanidineshydrocarbon derivativesiminesmethionine and derivativesmethyl-branched fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesn-acyl aminesorganic oxidesorganopnictogen compoundssulfenyl compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidguanidineiminefatty acidorganosulfur compoundorganic oxideleucine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundmethyl-branched fatty acidsulfenyl compoundalpha-amino acid amidedialkylthioethercarboximidamidebranched fatty acidn-acyl-aminemonocarboxylic acid or derivativesorganic oxygen compoundthioethermethionine or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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