| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:34:13 UTC |
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| Update Date | 2025-03-21 17:56:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00001954 |
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| Frequency | 3200.6 |
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| Structure | |
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| Chemical Formula | C8H12N2O5 |
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| Molecular Mass | 216.0746 |
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| SMILES | O=C1CCC(C(=O)NC(CO)C(=O)O)N1 |
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| InChI Key | KOHCXIHQRMXDKH-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 compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary alcoholsproline and derivativespyrrolidine-2-onespyrrolidinecarboxamidessecondary carboxylic acid amidesserine and derivatives |
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| Substituents | 2-pyrrolidonecarbonyl grouplactamcarboxylic acidalpha-amino acid or derivativesbeta-hydroxy acidorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineprimary alcoholpyrrolidoneorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesproline or derivativesalcoholalpha-amino acid amideazacyclen-acyl-alpha-amino acidhydroxy acidcarboxamide groupalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundpyrrolidine-2-carboxamideserine or derivativesorganooxygen compound |
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