| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:09:52 UTC |
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| Update Date | 2025-03-21 18:31:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00085816 |
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| Frequency | 33.3 |
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| Structure | |
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| Chemical Formula | C10H18N2O3S |
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| Molecular Mass | 246.1038 |
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| SMILES | CC(C)CC(NC(=O)C1CSCN1)C(=O)O |
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| InChI Key | XWXKHPNFTSUISU-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 derivativesleucine and derivativesmethyl-branched fatty acidsmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidesthiazolidinesthiohemiaminal derivatives |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidamino acid or derivativesamino acidheterocyclic fatty acidfatty acidalpha-amino acid or derivativesorganic oxideleucine or derivativesaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidhemithioaminalorganopnictogen compoundorganoheterocyclic compoundn-acyl-alpha amino acid or derivativessecondary aliphatic aminemethyl-branched fatty acidazacyclen-acyl-alpha-amino aciddialkylthioethersecondary aminecarboxamide groupbranched fatty acidalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundaminethiazolidine |
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