| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:50:56 UTC |
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| Update Date | 2025-03-21 18:02:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00040765 |
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| Frequency | 84.6 |
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| Structure | |
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| Chemical Formula | C10H21N2O4+ |
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| Molecular Mass | 233.1496 |
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| SMILES | CC(O)C(NC(=O)C(C)[N+](C)(C)C)C(=O)O |
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| InChI Key | GVJCKOOMBBKSLC-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 acidsaminesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic cationsorganic oxidesorganic saltsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amidesshort-chain hydroxy acids and derivativestetraalkylammonium salts |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidfatty acidalpha-amino acid or derivativesbeta-hydroxy acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidorganic cationorganic saltn-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 compoundsecondary alcoholalanine or derivativeshydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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