| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:46 UTC |
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| Update Date | 2025-03-21 18:03:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00047600 |
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| Frequency | 69.9 |
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| Structure | |
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| Chemical Formula | C9H17N3O6S2 |
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| Molecular Mass | 327.0559 |
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| SMILES | NC(CSSCC(NC(=O)C(N)CO)C(=O)O)C(=O)O |
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| InChI Key | MYNAHUSTXWAGMW-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 | dipeptides |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidscarbonyl compoundscarboxylic acidscysteine and derivativesdialkyldisulfidesdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary alcoholssecondary carboxylic acid amidesserine and derivativessulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidalpha-amino acid or derivativesorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundprimary alcoholn-acyl-alpha amino acid or derivativesalcoholsulfenyl compoundalpha-amino acid amiden-acyl-alpha-amino acidcarboxamide groupalpha-dipeptidesecondary carboxylic acid amidedialkyldisulfideorganic oxygen compoundorganic disulfidecysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundserine or derivativesorganooxygen compound |
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