| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:06:36 UTC |
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| Update Date | 2025-03-21 18:29:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00078036 |
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| Frequency | 37.5 |
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| Structure | |
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| Chemical Formula | C9H16N2O6S2 |
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| Molecular Mass | 312.045 |
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| SMILES | CC(O)C(=O)NC(CSSCC(N)C(=O)O)C(=O)O |
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| InChI Key | PPWAFFIZRSKCNG-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 acidscysteine and derivativesdialkyldisulfidesdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalcoholsulfenyl compoundn-acyl-alpha-amino acidcarboxamide groupsecondary carboxylic acid amidedialkyldisulfideorganic oxygen compoundorganic disulfidecysteine or derivativessecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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