| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:04:49 UTC |
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| Update Date | 2025-03-25 00:55:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02212504 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C25H48NO4+ |
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| Molecular Mass | 426.3578 |
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| SMILES | CCCCCCCCCCCCCCC=CC(C[N+](C)(C)C)OC(=O)CCC(=O)O |
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| InChI Key | MBZKQOYYCXZJAM-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 | aminescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundsshort-chain hydroxy acids and derivativestetraalkylammonium salts |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidtetraalkylammonium saltquaternary ammonium saltcarboxylic acid derivativefatty acid esterorganic oxideorganic oxygen compoundcarboxylic acid esterorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationorganic saltamineorganooxygen compound |
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