| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:20 UTC |
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| Update Date | 2025-03-21 18:40:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00130219 |
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| Frequency | 19.5 |
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| Structure | |
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| Chemical Formula | C9H12N2O5 |
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| Molecular Mass | 228.0746 |
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| SMILES | CC(=O)C(NC(=O)C1CCC(=O)N1)C(=O)O |
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| InChI Key | YIWBRWNKLUUHEU-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 | 1,3-dicarbonyl compoundsalpha amino acid amidesalpha amino acidsazacyclic compoundsbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsfatty acylsheterocyclic fatty acidshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsproline and derivativespyrrolidine-2-onespyrrolidinecarboxamidessecondary carboxylic acid amidesshort-chain keto acids and derivatives |
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| Substituents | fatty acyl2-pyrrolidonebeta-hydroxy ketonecarbonyl grouplactamcarboxylic acidheterocyclic fatty acidshort-chain keto acidalpha-amino acid or derivativesbeta-keto acidketoneorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidinepyrrolidoneorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesproline or derivativesalpha-amino acid amideazacyclen-acyl-alpha-amino acidcarboxamide groupalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundketo acidhydrocarbon derivativeorganic nitrogen compound1,3-dicarbonyl compoundpyrrolidine-2-carboxamideorganooxygen compound |
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