| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:49:34 UTC |
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| Update Date | 2025-03-21 18:02:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00037534 |
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| Frequency | 93.8 |
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| Structure | |
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| Chemical Formula | C9H14N2O6S |
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| Molecular Mass | 278.0573 |
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| SMILES | CC(=O)NC(CC(=O)O)C(=O)NC(CS)C(=O)O |
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| InChI Key | ATDFACWQUAPGSW-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 | acetamidesalkylthiolsalpha amino acid amidesalpha amino acidsaspartic acid and derivativescarbonyl compoundscarboxylic acidscysteine and derivativesdicarboxylic acids and derivativesfatty acids and conjugateshydrocarbon derivativesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty amidefatty acidalpha-amino acid or derivativesorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundacetamiden-acyl-alpha amino acid or derivativesalpha-amino acid amiden-acyl-alpha-amino acidcarboxamide groupn-acyl-aminen-substituted-alpha-amino acidalpha-dipeptidesecondary carboxylic acid amideorganic oxygen compoundcysteine or derivativesaspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundalkylthiolorganooxygen compound |
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