| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:12:55 UTC |
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| Update Date | 2025-03-25 00:58:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02230789 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C31H64NO3+ |
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| Molecular Mass | 498.4881 |
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| SMILES | CCCCCCCCCCCCCCCCCCCCCCCCOC(CCC(=O)O)[N+](C)(C)C |
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| InChI Key | CKQOJPLSDQKFAB-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 | hydroxy acids and derivatives |
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| Subclass | short-chain hydroxy acids and derivatives |
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| Direct Parent | short-chain hydroxy acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidshemiaminalshydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganonitrogen compoundsorganopnictogen compoundsstraight chain fatty acidstetraalkylammonium salts |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupstraight chain fatty acidcarboxylic acidshort-chain hydroxy acidtetraalkylammonium saltfatty acidcarboxylic acid derivativehemiaminalorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationorganic saltorganooxygen compound |
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