| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:55 UTC |
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| Update Date | 2025-03-21 18:30:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00083598 |
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| Frequency | 34.4 |
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| Structure | |
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| Chemical Formula | C11H20N2O5S |
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| Molecular Mass | 292.1093 |
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| SMILES | CSCCC(NC(C)=O)C(=O)NC(C(=O)O)C(C)O |
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| InChI Key | FCRRXNPTDLSVEX-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 | dipeptides |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acetamidesalpha amino acid amidesalpha amino acidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativeshydroxy fatty acidsmethionine and derivativesmonocarboxylic acids and derivativesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amidesshort-chain hydroxy acids and derivativessulfenyl compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidfatty amidefatty acidalpha-amino acid or derivativesorganosulfur compoundbeta-hydroxy acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidacetamiden-acyl-alpha amino acid or derivativesalcoholsulfenyl compoundalpha-amino acid amiden-acyl-alpha-amino aciddialkylthioetherhydroxy acidcarboxamide groupn-acyl-aminen-substituted-alpha-amino acidalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundthioethermethionine or derivativessecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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