| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 12:11:36 UTC |
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| Update Date | 2025-03-24 21:31:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01804991 |
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| Frequency | 0.7 |
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| Structure | |
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| Chemical Formula | C5H6NO3+ |
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| Molecular Mass | 128.0342 |
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| SMILES | O=C1C[N+]C(C(=O)O)C1 |
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| InChI Key | UXKDKJGFPVDWPG-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 compoundscarboxylic acidscyclic ketoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxoprolinespyrrolidine carboxylic acidspyrrolidine-3-ones |
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| Substituents | carbonyl groupcarboxylic acid3-pyrrolidonecyclic ketoneketoneorganic oxidepyrrolidine carboxylic acidaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationpyrrolidinepyrrolidoneorganoheterocyclic compoundproline or derivativesoxoprolineazacyclemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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