| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:33 UTC |
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| Update Date | 2025-03-25 00:59:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02234548 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H30NO4+ |
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| Molecular Mass | 324.2169 |
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| SMILES | C[N+](C)(C)CCOC(=O)C=CCC=CCC=CCCCC(=O)O |
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| InChI Key | PPTUYJAOFMUDLQ-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acids and conjugates |
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| Direct Parent | long-chain fatty acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acyl cholinesaminesamino fatty acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesenoate estersfatty acid estershydrocarbon derivativeshydroxy fatty acidsorganic cationsorganic oxidesorganic saltsorganopnictogen compoundstetraalkylammonium salts |
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| Substituents | aliphatic acyclic compoundcarbonyl grouplong-chain fatty acidcarboxylic acidcarboxylic acid derivativealpha,beta-unsaturated carboxylic esterorganic oxideorganonitrogen compoundorganopnictogen compoundhydroxy fatty acidorganic cationorganic saltenoate estertetraalkylammonium saltquaternary ammonium saltamino fatty acidfatty acid esterorganic oxygen compoundcarboxylic acid esteracyl cholinedicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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