| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:03 UTC |
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| Update Date | 2025-03-21 18:04:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00050612 |
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| Frequency | 64.8 |
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| Structure | |
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| Chemical Formula | C11H23N2O3S+ |
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| Molecular Mass | 263.1424 |
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| SMILES | CSCCC(NC(=O)C(C)[N+](C)(C)C)C(=O)O |
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| InChI Key | GKLUYQZQLVLQNQ-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 | alanine and derivativesalpha amino acid amidesalpha amino acidsaminescarbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesmethionine and derivativesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic cationsorganic oxidesorganic saltsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundstetraalkylammonium saltsthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty 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 derivativesthia fatty acidorganic oxygen compoundthioethermethionine or derivativesalanine or derivativeshydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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