| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:57 UTC |
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| Update Date | 2025-03-25 00:47:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162319 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H18N2O8 |
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| Molecular Mass | 330.1063 |
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| SMILES | O=C(O)CCC(NC(=O)C1CCC(=O)N1CCC(=O)O)C(=O)O |
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| InChI Key | KGKHPXZPULWQBI-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 acidsglutamic acid and derivativeshydrocarbon derivativeslactamsn-acyl-alpha amino acidsn-alkylpyrrolidinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsproline and derivativespyrrolidine-2-onespyrrolidinecarboxamidessecondary carboxylic acid amidestertiary carboxylic acid amidestricarboxylic acids and derivatives |
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| Substituents | 2-pyrrolidonecarbonyl grouplactamcarboxylic acidtricarboxylic acid or derivativesalpha-amino acid or derivativesorganic oxidetertiary carboxylic acid amidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidinepyrrolidoneorganoheterocyclic 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 compoundhydrocarbon derivativeorganic nitrogen compoundpyrrolidine-2-carboxamideorganooxygen compound |
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