| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-20 23:43:24 UTC |
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| Update Date | 2025-03-21 17:59:44 UTC |
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| HMDB ID | HMDB0304553 |
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| Metabolite Identification |
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| DeepMet ID | DMID00022894 |
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| Name | HMBOA trihexose |
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| Frequency | 172.7 |
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| Structure | |
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| Chemical Formula | C9H20NO2+ |
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| Molecular Mass | 174.1489 |
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| SMILES | CCC(C)C(C(=O)O)[N+](C)(C)C |
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| InChI Key | WEFWRGFGKPRQQC-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 | isoleucine 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 saltisoleucine or derivativesmethyl-branched fatty acidtetraalkylammonium saltquaternary ammonium saltbranched fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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