| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:41 UTC |
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| Update Date | 2025-03-21 18:39:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00126287 |
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| Frequency | 20.3 |
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| Structure | |
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| Chemical Formula | C7H12NO4+ |
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| Molecular Mass | 174.0761 |
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| SMILES | C[N+]1(C)C(=O)C(O)CC1C(=O)O |
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| InChI Key | VRESMQQZLLFZIX-UHFFFAOYSA-O |
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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 acidshydrocarbon derivativesmonocarboxylic acids and derivativesn-alkylpyrrolidinesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxoprolinespyrrolidine carboxylic acidspyrrolidine-2-onessecondary alcohols |
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| Substituents | 2-pyrrolidonecarbonyl groupcarboxylic acidorganic oxidepyrrolidine carboxylic acidaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationpyrrolidinepyrrolidoneorganoheterocyclic compoundproline or derivativesalcoholoxoprolineazacyclen-alkylpyrrolidinemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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