| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:11:03 UTC |
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| Update Date | 2025-03-25 00:57:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02226746 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H28NO4+ |
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| Molecular Mass | 262.2013 |
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| SMILES | CC(O)CCCCC(O)(CC(=O)O)C[N+](C)(C)C |
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| InChI Key | NGDWZSWFDYIJAX-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 | medium-chain hydroxy acids and derivatives |
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| Direct Parent | medium-chain hydroxy acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | 1,2-aminoalcoholsaminesamino fatty acidsbranched fatty acidscarbonyl compoundscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundssecondary alcoholstertiary alcoholstetraalkylammonium salts |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty acidcarboxylic acid derivativemedium-chain hydroxy acidorganic oxideorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidorganic cationorganic saltalcoholtetraalkylammonium salt1,2-aminoalcoholquaternary ammonium saltamino fatty acidbranched fatty acidtertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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