| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:21 UTC |
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| Update Date | 2025-03-21 18:34:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00098933 |
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| Frequency | 27.8 |
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| Structure | |
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| Chemical Formula | C9H17N3O4S |
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| Molecular Mass | 263.094 |
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| SMILES | CC(C)CC(NC(=O)C(N)CSN=O)C(=O)O |
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| InChI Key | AKIWDPUGHICENX-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 acidscarbonyl compoundscarboxylic acidscysteine and derivativeshydrocarbon derivativesleucine and derivativesmethyl-branched fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsnitrosothiolsorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty acidalpha-amino acid or derivativesorganosulfur compoundnitrosothiolorganic oxideleucine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic s-nitroso compoundn-acyl-alpha amino acid or derivativesorganic nitroso compoundmethyl-branched fatty acidsulfenyl compoundalpha-amino acid amiden-acyl-alpha-amino acidcarboxamide groupbranched fatty acidalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundcysteine or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundnitrosothiol-group |
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