| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:14 UTC |
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| Update Date | 2025-03-25 00:46:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156344 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H18N2O5+ |
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| Molecular Mass | 258.121 |
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| SMILES | C[N+]1CCCC1C(=O)NC(CCC(=O)O)C(=O)O |
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| InChI Key | ZKDHNUOQFFUWDI-UHFFFAOYSA-N |
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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 heteromonocyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesglutamic acid and derivativesheterocyclic fatty acidshydrocarbon derivativesn-acyl-alpha amino acidsn-alkylpyrrolidinesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsproline and derivativespyrrolidinecarboxamidessecondary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidheterocyclic fatty acidfatty acidalpha-amino acid or derivativesorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationpyrrolidineorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesproline or derivativesalpha-amino acid amideazacyclen-acyl-alpha-amino acidn-alkylpyrrolidineglutamic acid or derivativescarboxamide groupalpha-dipeptidesecondary carboxylic acid amidepyrrolidine carboxylic acid or derivativesorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundpyrrolidine-2-carboxamideorganooxygen compound |
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