| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:59:14 UTC |
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| Update Date | 2025-03-21 18:05:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00060362 |
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| Frequency | 51.9 |
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| Structure | |
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| Chemical Formula | C11H21N3O4S2 |
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| Molecular Mass | 323.0973 |
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| SMILES | CC(=O)NC(CSC(=N)NCCCCS(C)=O)C(=O)O |
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| InChI Key | XOHOPSZILCYGMP-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 | acetamidesalpha amino acidscarbonyl compoundscarboximidamidescarboxylic acidscysteine and derivativeshydrocarbon derivativesiminesisothioureasmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundssulfinyl compoundssulfoxides |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidimineorganosulfur compoundorganic oxidesulfinyl compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundacetamideisothioureasulfenyl compoundn-acyl-alpha-amino acidcarboximidamidecarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundcysteine or derivativessulfoxidehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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