| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:17 UTC |
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| Update Date | 2025-03-25 00:48:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02169953 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C25H48NO5+ |
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| Molecular Mass | 442.3527 |
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| SMILES | CCCCCCCCCCCCCC=CC(=O)OC(CC(O)CC(=O)O)C[N+](C)(C)C |
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| InChI Key | CIAXMPBFOKDPDH-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 | aminesamino fatty acidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesenoate estersfatty acid estershydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsorganic cationsorganic oxidesorganic saltsorganopnictogen compoundssecondary alcoholstetraalkylammonium salts |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidcarboxylic acid derivativemedium-chain hydroxy acidalpha,beta-unsaturated carboxylic esterbeta-hydroxy acidorganic oxideorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidorganic cationorganic saltenoate esteralcoholtetraalkylammonium saltquaternary ammonium saltamino fatty acidfatty acid esterorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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