| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:27 UTC |
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| Update Date | 2025-03-21 18:41:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00132826 |
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| Frequency | 19.0 |
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| Structure | |
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| Chemical Formula | C8H18N4O4S2 |
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| Molecular Mass | 298.0769 |
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| SMILES | NC(CCSCCCC(N)C(=O)O)=NS(N)(=O)=O |
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| InChI Key | CCYRSAGIGSEFIY-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 | alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | amidinescarbonyl compoundscarboxylic acidsdialkylthioethersfatty acids and conjugateshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganic sulfuric acids and derivativesorganopnictogen compoundssulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidorganic sulfuric acid or derivativessulfenyl compounddialkylthioetherfatty acidamidineorganosulfur compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundthioetherorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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