| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:48:37 UTC |
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| Update Date | 2025-03-21 18:01:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00035197 |
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| Frequency | 101.5 |
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| Structure | |
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| Chemical Formula | C7H11N3O6S |
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| Molecular Mass | 265.0369 |
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| SMILES | O=NSCC(NCC(=O)O)C(=O)NCC(=O)O |
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| InChI Key | PBTCOAXMNKFTKA-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 acidsamino acidscarbonyl compoundscarboxylic acidscysteine and derivativesdialkylaminesdicarboxylic acids and derivativesdipeptideshydrocarbon derivativesnitrosothiolsorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidorganosulfur compoundalpha peptidenitrosothiolorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic s-nitroso compoundsecondary aliphatic amineorganic nitroso compoundsulfenyl compoundalpha-amino acid amidesecondary aminecarboxamide groupn-acylglycinealpha-dipeptidesecondary carboxylic acid amideorganic oxygen compoundcysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundaminenitrosothiol-group |
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