| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:15 UTC |
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| Update Date | 2025-03-25 00:45:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149351 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H13N3O3S |
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| Molecular Mass | 219.0678 |
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| SMILES | CC(C)C(=O)NC(CSN=O)C(N)=O |
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| InChI Key | PNPJMSMJHRZPSZ-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acids and derivativescysteine and derivativeshydrocarbon derivativesnitrosothiolsorganic oxidesorganopnictogen compoundsprimary carboxylic acid amidessecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | primary carboxylic acid amidealiphatic acyclic compoundcarbonyl grouporganosulfur compoundnitrosothiolorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic s-nitroso compoundorganic nitroso compoundsulfenyl compoundn-acyl-alpha-amino acidcarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundcysteine or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundnitrosothiol-group |
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