| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:43 UTC |
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| Update Date | 2025-03-25 00:59:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02239434 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H13N3O6S2 |
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| Molecular Mass | 311.0246 |
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| SMILES | O=NSCC(NC(=O)C(O)CS)C(=O)NCC(=O)O |
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| InChI Key | CVKSUQAYUCBWNU-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 | acyl glycines |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkylthiolsalpha amino acid amidesalpha amino acidscarbonyl compoundscarboxylic acidscysteine and derivativesdipeptideshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesnitrosothiolsorganic oxidesorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidmonosaccharideorganosulfur compoundalpha peptidenitrosothiolsaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic s-nitroso compoundalcoholorganic nitroso compoundsulfenyl compoundalpha-amino acid amidecarboxamide groupn-acylglycinealpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundcysteine or derivativessecondary alcoholhydrocarbon derivativeorganic nitrogen compoundalkylthiolorganooxygen compoundnitrosothiol-group |
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