| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:22 UTC |
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| Update Date | 2025-03-21 18:41:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00134876 |
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| Frequency | 18.6 |
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| Structure | |
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| Chemical Formula | C12H22N2O5S |
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| Molecular Mass | 306.1249 |
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| SMILES | CSCCC(NC(=O)NC(CC(C)C)C(=O)O)C(=O)O |
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| InChI Key | HHMJDFGYPWXYKO-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 acidscarbonyl compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativesmethionine and derivativesmethyl-branched fatty acidsn-carbamoyl-alpha amino acidsorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty acidorganosulfur compoundorganic oxiden-carbamoyl-alpha-amino acid or derivativesleucine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundcarbonic acid derivativemethyl-branched fatty acidsulfenyl compounddialkylthioethern-carbamoyl-alpha-amino acidbranched fatty acidthia fatty acidorganic oxygen compoundthioethermethionine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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