| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-20 23:42:45 UTC |
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| Update Date | 2025-03-21 17:59:31 UTC |
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| HMDB ID | HMDB0255162 |
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| Metabolite Identification |
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| DeepMet ID | DMID00021468 |
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| Name | N-Isobutyryl-L-cysteine |
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| Frequency | 193.9 |
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| Structure | |
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| Chemical Formula | C7H13NO3S |
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| Molecular Mass | 191.0616 |
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| SMILES | CC(C)C(=O)NC(CS)C(=O)O |
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| InChI Key | BWBQXMAXLAHHTK-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 | alkylthiolsalpha 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 compoundalkylthiolorganooxygen compound |
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