| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:34 UTC |
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| Update Date | 2025-03-21 18:39:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00123656 |
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| Frequency | 20.8 |
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| Structure | |
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| Chemical Formula | C10H15N3O7S2 |
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| Molecular Mass | 353.0351 |
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| SMILES | NC(CSSCC(=O)C(=O)NCC(=O)O)C(=O)NCC(=O)O |
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| InChI Key | KPWSJHCGTGXPOD-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 acidscarboxylic acidscysteine and derivativesdialkyldisulfidesdicarboxylic acids and derivativesdipeptideshydrocarbon derivativesketonesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidorganosulfur compoundalpha peptideketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundsulfenyl compoundalpha-amino acid amidecarboxamide groupn-acylglycinealpha-dipeptidesecondary carboxylic acid amidedialkyldisulfideorganic oxygen compoundorganic disulfidecysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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