| Record Information |
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| HMDB Status | quantified |
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| Creation Date | 2024-02-20 23:38:51 UTC |
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| Update Date | 2025-03-21 17:58:12 UTC |
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| HMDB ID | HMDB0004827 |
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| Metabolite Identification |
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| DeepMet ID | DMID00012848 |
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| Name | Proline betaine |
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| Frequency | 352.0 |
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| Structure | |
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| Chemical Formula | C7H14NO2+ |
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| Molecular Mass | 144.1019 |
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| SMILES | C[N+]1(C)CCCC1C(=O)O |
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| InChI Key | CMUNUTVVOOHQPW-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 acidsaminesazacyclic compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesn-alkylpyrrolidinesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundspyrrolidine carboxylic acidstetraalkylammonium salts |
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| Substituents | carbonyl groupcarboxylic acidorganic oxidepyrrolidine carboxylic acidaliphatic heteromonocyclic compoundalpha-amino acidorganonitrogen compoundorganopnictogen compoundorganic cationorganic saltpyrrolidineorganoheterocyclic compoundproline or derivativestetraalkylammonium saltazacyclen-alkylpyrrolidinequaternary ammonium saltmonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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