| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:32 UTC |
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| Update Date | 2025-03-21 18:36:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00111650 |
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| Frequency | 32.2 |
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| Structure | |
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| Chemical Formula | C8H17N2O4+ |
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| Molecular Mass | 205.1183 |
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| SMILES | C[N+](C)(C)CC(=O)NC(CO)C(=O)O |
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| InChI Key | MBMBUVKWPOVWRL-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 acidsaminesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic cationsorganic oxidesorganic saltsorganopnictogen compoundsprimary alcoholssecondary carboxylic acid amidesserine and derivativestetraalkylammonium salts |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidalpha-amino acid or derivativesbeta-hydroxy acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationorganic saltprimary alcoholn-acyl-alpha amino acid or derivativesalcoholalpha-amino acid amidetetraalkylammonium saltn-acyl-alpha-amino acidquaternary ammonium salthydroxy acidcarboxamide groupalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundserine or derivativesamineorganooxygen compound |
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