| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:48:12 UTC |
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| Update Date | 2025-03-21 18:01:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00034200 |
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| Frequency | 115.1 |
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| Structure | |
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| Chemical Formula | C11H23N2O3+ |
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| Molecular Mass | 231.1703 |
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| SMILES | CC(C)CC(NC(=O)C[N+](C)(C)C)C(=O)O |
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| InChI Key | NYPBDCTVJBMALU-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 acidshydrocarbon derivativesleucine and derivativesmethyl-branched fatty acidsmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic cationsorganic oxidesorganic saltsorganopnictogen compoundssecondary carboxylic acid amidestetraalkylammonium salts |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty acidalpha-amino acid or derivativesorganic oxideleucine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationorganic saltn-acyl-alpha amino acid or derivativesmethyl-branched fatty acidalpha-amino acid amidetetraalkylammonium saltn-acyl-alpha-amino acidquaternary ammonium saltcarboxamide groupbranched fatty acidalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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