| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:08 UTC |
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| Update Date | 2025-03-25 00:56:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220195 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H19N2O3S+ |
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| Molecular Mass | 235.1111 |
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| SMILES | CSCC(NC(=O)C[N+](C)(C)C)C(=O)O |
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| InChI Key | JWRILDDNJCWYNB-UHFFFAOYSA-O |
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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 | dipeptides |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsaminescarbonyl compoundscarboxylic acidscysteine and derivativesdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic cationsorganic oxidesorganic saltsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundstetraalkylammonium salts |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidalpha-amino acid or derivativesorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationorganic saltn-acyl-alpha amino acid or derivativessulfenyl compoundalpha-amino acid amidetetraalkylammonium saltn-acyl-alpha-amino aciddialkylthioetherquaternary ammonium saltcarboxamide groupalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundthioethercysteine or derivativeshydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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