| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:44 UTC |
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| Update Date | 2025-03-25 00:48:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02168701 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H13NO2S |
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| Molecular Mass | 187.0667 |
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| SMILES | CC(C)C(=O)NC1CCSC1=O |
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| InChI Key | SSXNINSNFFDMHY-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarbothioic s-lactonescarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesthioestersthiolactonesthiolanes |
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| Substituents | thiolanecarbothioic s-lactonethiocarboxylic acid or derivativescarbonyl groupn-acyl-alpha-amino acidthiocarboxylic acid estercarboxamide groupsecondary carboxylic acid amideorganic oxideorganic oxygen compoundaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundthiolactoneorganoheterocyclic compoundorganooxygen compound |
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