| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:28 UTC |
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| Update Date | 2025-03-25 00:48:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02168091 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H14N2O5S |
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| Molecular Mass | 262.0623 |
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| SMILES | CC(N)C(=O)N1CC2C1CS(=O)(=O)C2C(=O)O |
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| InChI Key | OXNIXZAKUHXSTK-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 acid amides |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundsazetidinescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfonestertiary carboxylic acid amidesthiolanes |
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| Substituents | thiolanecarbonyl groupcarboxylic acidalpha-amino acid amideazacyclecarboxamide groupazetidinealiphatic heteropolycyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundtertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compoundsulfone |
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