| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:35 UTC |
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| Update Date | 2025-03-21 18:05:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00056406 |
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| Frequency | 56.5 |
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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 | COC(=O)C(CCSC)NC(=O)CCC(N)C(=O)O |
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| InChI Key | SFJBQQGBOKVFEI-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 | glutamine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acid estersalpha amino acidscarbonyl compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesmethionine and derivativesmethyl estersmonoalkylaminesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesshort-chain hydroxy acids and derivativessulfenyl compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidglutamine or derivativesfatty amideorganosulfur compoundorganic oxidemethyl esterorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativessulfenyl compoundalpha-amino acid estern-acyl-alpha-amino aciddialkylthioethercarboxamide groupn-acyl-aminesecondary carboxylic acid amidefatty acid esterorganic oxygen compoundthioethercarboxylic acid estermethionine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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