| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:49 UTC |
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| Update Date | 2025-03-25 00:53:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02198534 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H19NO5 |
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| Molecular Mass | 269.1263 |
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| SMILES | CCC=CCCC(C(=O)O)N1C(=O)CCC1C(=O)O |
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| InChI Key | JQVWRSYTBLTODK-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 acidsamino fatty acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesfatty acylsheterocyclic fatty acidshydrocarbon derivativeslactamsmedium-chain fatty acidsn-alkylpyrrolidinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxoprolinespyrrolidine carboxylic acidspyrrolidine-2-onestertiary carboxylic acid amides |
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| Substituents | fatty acyl2-pyrrolidonecarbonyl grouplactamcarboxylic acidheterocyclic fatty acidorganic oxidepyrrolidine carboxylic acidtertiary carboxylic acid amidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidpyrrolidinepyrrolidoneorganoheterocyclic compoundproline or derivativesoxoprolineazacyclen-alkylpyrrolidinecarboxamide groupamino fatty acidpyrrolidine carboxylic acid or derivativesorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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