| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:38:45 UTC |
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| Update Date | 2025-03-21 17:58:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00012586 |
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| Frequency | 360.0 |
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| Structure | |
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| Chemical Formula | C21H40NO4+ |
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| Molecular Mass | 370.2952 |
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| SMILES | CCCCCCCCCCCC=CC(=O)OC(CCC(=O)O)[N+](C)(C)C |
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| InChI Key | VDPVQRIJJXMKLV-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 compoundsshort-chain hydroxy acids and derivativestetraalkylammonium salts |
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| Substituents | enoate esteraliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidtetraalkylammonium saltcarboxylic acid derivativealpha,beta-unsaturated carboxylic esterfatty acid esterorganic oxideorganic oxygen compoundcarboxylic acid esterorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationorganic saltorganooxygen compound |
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