| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:13 UTC |
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| Update Date | 2025-03-25 00:56:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220380 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H16NO5+ |
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| Molecular Mass | 218.1023 |
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| SMILES | C[N+](C)(C)C1OC(C(=O)O)=CC(O)C1O |
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| InChI Key | MNMUDALEKKCJJB-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic nitrogen compounds |
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| Class | organonitrogen compounds |
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| Subclass | quaternary ammonium salts |
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| Direct Parent | tetraalkylammonium salts |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary alcohols |
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| Substituents | alcoholcarbonyl groupcarboxylic acidtetraalkylammonium saltcarboxylic acid derivativeoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaliphatic heteromonocyclic compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic cationorganic saltorganoheterocyclic compoundorganooxygen compound1,2-diol |
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