| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:09:39 UTC |
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| Update Date | 2025-03-21 18:31:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00085297 |
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| Frequency | 33.5 |
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| Structure | |
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| Chemical Formula | C7H16NO3+ |
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| Molecular Mass | 162.1125 |
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| SMILES | CC(C(O)C(=O)O)[N+](C)(C)C |
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| InChI Key | XKYODJXFPIXODL-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 | hydroxy fatty acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativesaminescarbonyl compoundscarboxylic acidscholineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundssecondary alcoholsshort-chain hydroxy acids and derivativestetraalkylammonium salts |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidalpha-hydroxy acidcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundhydroxy fatty acidorganic cationorganic saltalcoholtetraalkylammonium saltquaternary ammonium salthydroxy acidmonocarboxylic acid or derivativesorganic oxygen compoundcholinesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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