| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-20 23:40:48 UTC |
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| Update Date | 2025-03-21 17:58:51 UTC |
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| HMDB ID | HMDB0240543 |
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| Metabolite Identification |
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| DeepMet ID | DMID00017123 |
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| Name | N-Acetyl-S-allylcysteine |
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| Frequency | 247.4 |
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| Structure | |
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| Chemical Formula | C8H13NO3S |
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| Molecular Mass | 203.0616 |
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| SMILES | C=CCSCC(NC(C)=O)C(=O)O |
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| InChI Key | LKRAEHUDIUJBSF-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 | acetamidesallyl sulfur compoundsalpha amino acidscarbonyl compoundscarboxylic acidscysteine and derivativesdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidallyl sulfur compoundorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundacetamidesulfenyl compoundn-acyl-alpha-amino aciddialkylthioethercarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundthioethercysteine or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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