| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-20 23:40:05 UTC |
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| Update Date | 2025-03-21 17:58:36 UTC |
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| HMDB ID | HMDB0240571 |
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| Metabolite Identification |
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| DeepMet ID | DMID00015584 |
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| Name | Valine betaine |
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| Frequency | 278.0 |
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| Structure | |
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| Chemical Formula | C8H18NO2+ |
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| Molecular Mass | 160.1332 |
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| SMILES | CC(C)C(C(=O)O)[N+](C)(C)C |
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| InChI Key | REWYJJRDEOKNBQ-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 | valine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidsaminescarbonyl compoundscarboxylic acidshydrocarbon derivativesmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundstetraalkylammonium salts |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty acidorganic oxidealpha-amino acidorganonitrogen compoundorganopnictogen compoundorganic cationorganic saltmethyl-branched fatty acidtetraalkylammonium saltquaternary ammonium saltvaline or derivativesbranched fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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