| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:59:30 UTC |
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| Update Date | 2025-03-21 18:06:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00061024 |
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| Frequency | 51.2 |
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| Structure | |
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| Chemical Formula | C11H20N2O5S2 |
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| Molecular Mass | 324.0814 |
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| SMILES | CC(=O)NC(NCCCCS(C)=O)SCC(=O)C(=O)O |
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| InChI Key | AAUPOIIBEUSHJW-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 | keto acids and derivatives |
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| Subclass | alpha-keto acids and derivatives |
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| Direct Parent | alpha-keto acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acetamidesalpha-hydroxy ketonesamino acidscarboxylic acidsdialkylaminesdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesn,s-acetalsorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundssulfinyl compoundssulfoxides |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acid or derivativesamino acidorganosulfur compoundalpha-hydroxy ketonecarboxylic acid derivativeketonen,s-acetalorganic oxidesulfinyl compoundorganonitrogen compoundalpha-keto acidorganopnictogen compoundacetamidesecondary aliphatic aminesulfenyl compounddialkylthioethersecondary aminecarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundthioethersulfoxidehydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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