| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:50 UTC |
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| Update Date | 2025-03-25 00:49:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02175806 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H13N3O4S |
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| Molecular Mass | 235.0627 |
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| SMILES | NC(CS)C(=O)NC(=O)C(N)CC(=O)O |
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| InChI Key | UFUBSHPWAZRXKL-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 | aspartic acid and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkylthiolsalpha amino acid amidesalpha amino acidscarbonyl compoundscarboxylic acidscysteine and derivativesdicarboximidesfatty acids and conjugateshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesn-acyl aminesn-unsubstituted carboxylic acid imidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty acidorganosulfur compoundcarboxylic acid imide, n-unsubstitutedorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compounddicarboximidealpha-amino acid amiden-acyl-aminecarboxylic acid imidemonocarboxylic acid or derivativesorganic oxygen compoundcysteine or derivativesaspartic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundalkylthiolorganooxygen compound |
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