| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:21:32 UTC |
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| Update Date | 2025-03-21 18:37:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00114047 |
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| Frequency | 23.2 |
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| Structure | |
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| Chemical Formula | C29H58NO4+ |
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| Molecular Mass | 484.436 |
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| SMILES | CCCCCCCCCCCCCC(OC(=O)CCCCCCCCCCC(=O)O)[N+](C)(C)C |
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| InChI Key | IKMKGFBAWHRREI-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | hydroxy acids and derivatives |
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| Subclass | medium-chain hydroxy acids and derivatives |
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| Direct Parent | medium-chain hydroxy acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | amino fatty acidscarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesmedium-chain fatty acidsorganic cationsorganic oxidesorganic saltsorganonitrogen compoundsorganopnictogen compoundstetraalkylammonium salts |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidtetraalkylammonium saltcarboxylic acid derivativeamino fatty acidmedium-chain hydroxy acidfatty acid esterorganic oxideorganic oxygen compoundcarboxylic acid esterorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativemedium-chain fatty acidorganic nitrogen compoundorganic cationorganic saltorganooxygen compound |
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