| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:46 UTC |
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| Update Date | 2025-03-25 00:49:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178024 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H23N2O5+ |
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| Molecular Mass | 275.1601 |
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| SMILES | COC(=O)CCC(NC(=O)C(C)[N+](C)(C)C)C(=O)O |
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| InChI Key | WAERVAHMTWLFRS-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 acidsdicarboxylic acids and derivativesfatty acid methyl estersglutamic acid and derivativeshydrocarbon derivativesmethyl estersn-acyl-alpha amino acidsorganic cationsorganic oxidesorganic saltsorganopnictogen compoundssecondary carboxylic acid amidesshort-chain hydroxy acids and derivativestetraalkylammonium salts |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidalpha-amino acid or derivativesorganic oxidemethyl esterorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationorganic saltn-acyl-alpha amino acid or derivativesalpha-amino acid amidetetraalkylammonium saltn-acyl-alpha-amino acidquaternary ammonium saltglutamic acid or derivativescarboxamide groupalpha-dipeptidesecondary carboxylic acid amidefatty acid esterfatty acid methyl esterorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativesalanine or derivativeshydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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