| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:31 UTC |
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| Update Date | 2025-03-25 00:53:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202408 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C23H44NO7+ |
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| Molecular Mass | 446.3112 |
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| SMILES | C[N+](C)(C)C(CCC(=O)O)OC(=O)CCCCCCCCCCCCC(O)CC(=O)O |
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| InChI Key | QIWIDYWOPVUJEE-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 | tricarboxylic acids and derivatives |
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| Direct Parent | tricarboxylic acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | beta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsfatty acid estershydrocarbon derivativesorganic cationsorganic oxidesorganic saltsorganonitrogen compoundsorganopnictogen compoundssecondary alcoholstetraalkylammonium salts |
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| Substituents | alcoholfatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidtetraalkylammonium salttricarboxylic acid or derivativeshydroxy acidfatty acid esterbeta-hydroxy acidorganic oxideorganic oxygen compoundcarboxylic acid esterorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationorganic saltorganooxygen compound |
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