| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:51 UTC |
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| Update Date | 2025-03-25 00:48:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02166727 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H16N2O4S |
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| Molecular Mass | 248.0831 |
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| SMILES | CC(=O)NCCSC(=O)C(N)CCC(=O)O |
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| InChI Key | XBXLCLKTJVBPHY-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 | glutamic acid and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acetamidesalpha amino acidscarbonyl compoundscarbothioic s-esterscarboxylic acidsfatty acids and conjugatesfatty acyl thioestersgamma amino acids and derivativeshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundsthioestersthiolactones |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidgamma amino acid or derivativesfatty acidorganosulfur compoundcarbothioic s-esterorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundfatty acyl thioesterthiolactoneacetamidethiocarboxylic acid or derivativessulfenyl compoundthiocarboxylic acid esterglutamic acid or derivativescarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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