| Record Information |
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| HMDB Status | quantified |
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| Creation Date | 2024-02-20 23:33:38 UTC |
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| Update Date | 2025-03-21 17:56:11 UTC |
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| HMDB ID | HMDB0001890 |
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| Metabolite Identification |
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| DeepMet ID | DMID00000602 |
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| Name | Acetylcysteine |
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| Frequency | 9396.8 |
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| Structure | |
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| Chemical Formula | C5H9NO3S |
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| Molecular Mass | 163.0303 |
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| SMILES | CC(=O)NC(CS)C(=O)O |
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| InChI Key | PWKSKIMOESPYIA-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 acyclic compounds |
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| Alternative Parents | acetamidesalkylthiolsalpha amino acidscarbonyl compoundscarboxylic acidscysteine and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundssecondary carboxylic acid amides |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidn-acyl-alpha-amino acidorganosulfur compoundcarboxamide groupsecondary carboxylic acid amideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcysteine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundalkylthiolacetamideorganooxygen compound |
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