| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:03 UTC |
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| Update Date | 2025-03-25 01:01:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02247266 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H24N2O3S |
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| Molecular Mass | 276.1508 |
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| SMILES | CCC(C)C(NC(=O)C(CCSC)NC)C(=O)O |
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| InChI Key | ACFVEVMEQXJRPH-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 | dipeptides |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsamino acidscarbonyl compoundscarboxylic acidsdialkylaminesdialkylthioethershydrocarbon derivativesisoleucine and derivativesmethionine and derivativesmethyl-branched fatty acidsmonocarboxylic acids and derivativesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acid or derivativesamino acidfatty amidefatty acidalpha-amino acid or derivativesorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundisoleucine or derivativesn-acyl-alpha amino acid or derivativessecondary aliphatic aminemethyl-branched fatty acidsulfenyl compoundalpha-amino acid amiden-acyl-alpha-amino aciddialkylthioethersecondary aminecarboxamide groupbranched fatty acidn-acyl-aminen-substituted-alpha-amino acidalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundthioethermethionine or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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