| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:04:44 UTC |
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| Update Date | 2025-03-21 18:28:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00073506 |
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| Frequency | 40.5 |
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| Structure | |
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| Chemical Formula | C12H26N3O3+ |
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| Molecular Mass | 260.1969 |
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| SMILES | CC(C(=O)NC(CCCCN)C(=O)O)[N+](C)(C)C |
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| InChI Key | GZKGKGWKWDEIMS-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 acidsaminesamino fatty acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmedium-chain fatty acidsmonoalkylaminesmonocarboxylic 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 oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidorganic cationorganic saltn-acyl-alpha amino acid or derivativesalpha-amino acid amidetetraalkylammonium saltn-acyl-alpha-amino acidquaternary ammonium saltcarboxamide groupamino fatty acidalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundalanine or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundamineorganooxygen compound |
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