| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:03 UTC |
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| Update Date | 2025-03-25 00:47:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02164837 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H28NO5+ |
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| Molecular Mass | 302.1962 |
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| SMILES | CC(O)CCCCC=CC(=O)OC(CC(=O)O)[N+](C)(C)C |
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| InChI Key | IYZAXMCJNXZJIT-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 acid esters |
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| Direct Parent | fatty acid esters |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesenoate estershydrocarbon derivativesorganic cationsorganic oxidesorganic saltsorganonitrogen compoundsorganopnictogen compoundssecondary alcoholstetraalkylammonium salts |
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| Substituents | enoate esteralcoholaliphatic acyclic compoundcarbonyl groupcarboxylic acidtetraalkylammonium saltcarboxylic acid derivativealpha,beta-unsaturated carboxylic esterfatty acid esterorganic oxideorganic oxygen compoundcarboxylic acid esterorganonitrogen compoundsecondary alcoholdicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationorganic saltorganooxygen compound |
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