| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-20 23:34:51 UTC |
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| Update Date | 2025-03-21 17:56:45 UTC |
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| HMDB ID | HMDB0029422 |
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| Metabolite Identification |
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| DeepMet ID | DMID00003491 |
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| Name | L-Histidine trimethylbetaine |
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| Frequency | 2557.3 |
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| Structure | |
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| Chemical Formula | C9H16N3O2+ |
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| Molecular Mass | 198.1237 |
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| SMILES | C[N+](C)(C)C(Cc1c[nH]cn1)C(=O)O |
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| InChI Key | GPPYTCRVKHULJH-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 | alpha amino acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aminesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundstetraalkylammonium salts |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundorganic oxideimidazolealpha-amino acidorganonitrogen compoundorganopnictogen compoundorganic cationorganic saltorganoheterocyclic compoundazoletetraalkylammonium saltazacyclequaternary ammonium saltheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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