| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:06:22 UTC |
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| Update Date | 2025-03-21 18:29:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00077464 |
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| Frequency | 37.9 |
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| Structure | |
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| Chemical Formula | C11H21N3O3S3 |
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| Molecular Mass | 339.0745 |
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| SMILES | CC(=O)NC(CSC(=S)NCCCCS(C)=O)C(N)=O |
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| InChI Key | INVQOKLPUPZRBH-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 compoundscarboxylic acids and derivativescysteine and derivativesdithiocarbamic acid estershydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidessecondary carboxylic acid amidessulfenyl compoundssulfinyl compoundssulfoxides |
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| Substituents | primary carboxylic acid amidealiphatic acyclic compoundcarbonyl grouporganosulfur compoundorganic oxidesulfinyl compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundacetamidesulfenyl compoundn-acyl-alpha-amino acidcarboxamide groupsecondary carboxylic acid amidedithiocarbamic acid esterorganic oxygen compoundcysteine or derivativessulfoxidehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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