| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:56 UTC |
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| Update Date | 2025-03-25 00:49:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02176047 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H17N5O5S3 |
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| Molecular Mass | 371.0392 |
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| SMILES | NC(=O)C(CSN=O)NC(=O)C(N)CSSCC(N)C(=O)O |
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| InChI Key | VFSTUBXODUDVQC-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 derivativesdialkyldisulfideshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsnitrosothiolsorganic oxidesorganopnictogen compoundsprimary carboxylic acid amidessecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | primary carboxylic acid amidealiphatic acyclic compoundcarbonyl groupcarboxylic acidalpha-amino acid or derivativesorganosulfur compoundnitrosothiolorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic s-nitroso compoundn-acyl-alpha amino acid or derivativesorganic nitroso compoundsulfenyl compoundalpha-amino acid amiden-acyl-alpha-amino acidcarboxamide groupn-substituted-alpha-amino acidalpha-dipeptidesecondary carboxylic acid amidedialkyldisulfidemonocarboxylic acid or derivativesorganic oxygen compoundorganic disulfidecysteine or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundnitrosothiol-group |
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