| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:11:16 UTC |
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| Update Date | 2025-03-25 00:57:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02227200 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H26NO5+ |
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| Molecular Mass | 276.1805 |
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| SMILES | CC(C)CCOC(=O)OC(CCC(=O)O)[N+](C)(C)C |
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| InChI Key | NELQQXOACBVLSH-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 acids and conjugates |
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| Direct Parent | branched fatty acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonic acid diesterscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganonitrogen compoundsorganopnictogen compoundsshort-chain hydroxy acids and derivativestetraalkylammonium salts |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarbonic acid derivativecarboxylic acidshort-chain hydroxy acidtetraalkylammonium saltcarbonic acid diestercarboxylic acid derivativebranched fatty acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationorganic saltorganooxygen compound |
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