| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:15 UTC |
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| Update Date | 2025-03-25 00:48:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02167624 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H34NO4+ |
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| Molecular Mass | 328.2482 |
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| SMILES | CC(C)CCCCCC=CC(=O)OC(CC(=O)O)C[N+](C)(C)C |
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| InChI Key | LIOLOOSBYVCSFV-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 | acyl carnitines |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | aminesbranched fatty acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesenoate estershydrocarbon derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundsshort-chain hydroxy acids and derivativestetraalkylammonium salts |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidcarboxylic acid derivativealpha,beta-unsaturated carboxylic esterorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationorganic saltenoate estertetraalkylammonium saltquaternary ammonium saltbranched fatty acidacyl-carnitineorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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