| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:24 UTC |
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| Update Date | 2025-03-21 18:35:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00103990 |
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| Frequency | 26.1 |
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| Structure | |
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| Chemical Formula | C7H14N2O3S |
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| Molecular Mass | 206.0725 |
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| SMILES | NCCSC(=O)CCC(N)C(=O)O |
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| InChI Key | KBQWRRXVIJNFAD-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 | alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarbothioic s-esterscarboxylic acidsfatty acids and conjugatesfatty acyl thioestershydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundsthioestersthiolactones |
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| Substituents | aliphatic acyclic compoundthiocarboxylic acid or derivativescarbonyl groupcarboxylic acidsulfenyl compoundthiocarboxylic acid esterfatty acidorganosulfur compoundcarbothioic s-esterorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundfatty acyl thioesterthiolactoneorganooxygen compound |
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