| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:59:05 UTC |
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| Update Date | 2025-03-21 18:05:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00059990 |
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| Frequency | 52.3 |
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| Structure | |
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| Chemical Formula | C9H16N2O3S |
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| Molecular Mass | 232.0882 |
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| SMILES | CC(C)C(NC(=O)C1CSCN1)C(=O)O |
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| InChI Key | QANDRJIFQFLSNX-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 heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesdialkylthioethersheterocyclic fatty acidshydrocarbon derivativesmethyl-branched fatty acidsmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidesthiazolidinesthiohemiaminal derivativesvaline and derivatives |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidamino acid or derivativesamino acidheterocyclic fatty acidfatty acidalpha-amino acid or derivativesorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidhemithioaminalorganopnictogen compoundorganoheterocyclic compoundn-acyl-alpha amino acid or derivativessecondary aliphatic aminemethyl-branched fatty acidazacyclen-acyl-alpha-amino aciddialkylthioethervaline or derivativessecondary aminecarboxamide groupbranched fatty acidalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundaminethiazolidine |
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