| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:39:33 UTC |
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| Update Date | 2025-03-21 17:58:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00014431 |
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| Frequency | 305.6 |
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| Structure | |
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| Chemical Formula | C6H14N4O4S2 |
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| Molecular Mass | 270.0456 |
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| SMILES | NC(CCSCC(N)C(=O)O)=NS(N)(=O)=O |
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| InChI Key | KLXQRCGUGJCTNN-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 | cysteine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidsamidinescarbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon 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 compounddialkylthioetheramidineorganosulfur compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundthioethercysteine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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