Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-20 23:50:02 UTC |
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Update Date | 2025-03-21 18:02:31 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00038630 |
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Frequency | 90.5 |
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Structure | |
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Chemical Formula | C10H18N2O5S |
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Molecular Mass | 278.0936 |
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SMILES | CSCCCC(NC(=O)C(N)CC(=O)O)C(=O)O |
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InChI Key | CAKXIRQQBLYKCX-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 acidsaspartic acid and derivativescarbonyl compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativesfatty acids and conjugateshydrocarbon derivativesmonoalkylaminesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compounds |
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Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty amidefatty acidalpha-amino acid or derivativesorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativessulfenyl compoundalpha-amino acid amiden-acyl-alpha-amino aciddialkylthioethercarboxamide groupn-acyl-aminealpha-dipeptidesecondary carboxylic acid amideorganic oxygen compoundthioetheraspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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