| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-20 23:38:31 UTC |
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| Update Date | 2025-03-21 17:58:04 UTC |
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| HMDB ID | HMDB0250301 |
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| Metabolite Identification |
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| DeepMet ID | DMID00012031 |
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| Name | Citiolone |
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| Frequency | 387.7 |
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| Structure | |
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| Chemical Formula | C6H9NO2S |
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| Molecular Mass | 159.0354 |
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| SMILES | CC(=O)NC1CCSC1=O |
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| InChI Key | NRFJZTXWLKPZAV-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 | acetamidesalpha 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 compoundacetamideorganooxygen compound |
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