| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:20 UTC |
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| Update Date | 2025-03-25 00:53:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202022 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H18N2O3S+ |
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| Molecular Mass | 234.1033 |
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| SMILES | CSCCC(NC(=O)C[N+](C)C)C(=O)O |
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| InChI Key | MJJYJJLQPGFQAR-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 | dipeptides |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidscarbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesmethionine and derivativesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty acidalpha-amino acid or derivativesorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationn-acyl-alpha amino acid or derivativessulfenyl compoundalpha-amino acid amiden-acyl-alpha-amino aciddialkylthioethercarboxamide groupalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioethermethionine or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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