| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:46 UTC |
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| Update Date | 2025-03-25 00:48:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02166545 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H20N2O7 |
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| Molecular Mass | 316.1271 |
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| SMILES | CC(=O)OC1CC(C(=O)O)N(CCCCC(N)C(=O)O)C1=O |
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| InChI Key | FNLMOTOSEOWHJF-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 | proline and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acid esterscarboxylic acidshydrocarbon derivativeslactamsmonoalkylaminesn-alkylpyrrolidinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxoprolinespyrrolidine carboxylic acidspyrrolidine-2-onestertiary carboxylic acid amidestricarboxylic acids and derivatives |
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| Substituents | 2-pyrrolidonecarbonyl grouplactamcarboxylic acidtricarboxylic acid or derivativesorganic oxidepyrrolidine carboxylic acidtertiary carboxylic acid amidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidinepyrrolidoneorganoheterocyclic compoundproline or derivativesoxoprolineazacyclen-alkylpyrrolidinecarboxamide grouppyrrolidine carboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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