| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:40 UTC |
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| Update Date | 2025-03-21 18:36:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00109541 |
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| Frequency | 24.4 |
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| Structure | |
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| Chemical Formula | C8H13N3O6S |
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| Molecular Mass | 279.0525 |
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| SMILES | CC(O)C(=O)NC(CSN=O)C(=O)NCC(=O)O |
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| InChI Key | NIUYJQXCMRTZNZ-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 | alpha amino acid amidesalpha amino acidscarbonyl compoundscarboxylic acidscysteine and derivativesdipeptideshydrocarbon derivativesmonocarboxylic acids and derivativesnitrosothiolsorganic oxidesorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidorganosulfur compoundalpha peptidenitrosothiolorganic 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 compoundorganooxygen compoundnitrosothiol-group |
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