| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:13 UTC |
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| Update Date | 2025-03-25 01:01:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02249886 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H14N2O4S |
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| Molecular Mass | 246.0674 |
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| SMILES | CSCCC(N)C(=O)N1C(=O)CC1C(=O)O |
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| InChI Key | YOEHLESGEUILNW-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 heteromonocyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsazacyclic compoundsazetidinecarboxylic acidsazetidinescarbonyl compoundscarboxylic acidsdialkylthioethersdicarboximideshydrocarbon derivativesmethionine and derivativesmonoalkylaminesmonobactamsmonocarboxylic acids and derivativesn-substituted carboxylic acid imidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compounds |
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| Substituents | carbonyl grouplactamcarboxylic acidmonobactamazetidinecarboxylic acidalpha-amino acid or derivativesorganosulfur compoundorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compounddicarboximidecarboxylic acid imide, n-substitutedorganoheterocyclic compoundsulfenyl compoundalpha-amino acid amideazacycledialkylthioethercarboxylic acid imideazetidinealpha-dipeptidemonocarboxylic acid or derivativesorganic oxygen compoundthioethermethionine or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundbeta-lactamorganooxygen compound |
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