| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:15 UTC |
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| Update Date | 2025-03-21 18:36:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00110954 |
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| Frequency | 24.0 |
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| Structure | |
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| Chemical Formula | C10H17N3O6S2 |
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| Molecular Mass | 339.0559 |
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| SMILES | NC(CCC(=O)SSCC(N)C(=O)NCC(=O)O)C(=O)O |
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| InChI Key | BQKZJTRJZNNHTP-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 derivativesdicarboxylic acids and derivativesdipeptidesfatty acids and conjugateshydrocarbon derivativesmonoalkylaminesorganic disulfidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundsthiocarboxylic acids and derivativesthiolactones |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty acidorganosulfur compoundalpha peptideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundthiolactonethiocarboxylic acid or derivativessulfenyl compoundalpha-amino acid amidecarboxamide groupn-acylglycinealpha-dipeptidesecondary carboxylic acid amideorganic oxygen compoundorganic disulfidecysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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