| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:45:55 UTC |
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| Update Date | 2025-03-21 18:00:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00028819 |
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| Frequency | 130.3 |
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| Structure | |
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| Chemical Formula | C8H18NO3+ |
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| Molecular Mass | 176.1281 |
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| SMILES | C[N+](C)(C)CCCC(O)C(=O)O |
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| InChI Key | KKUOCQJVOUUTQM-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 acidshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic 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 acidmonosaccharidecarboxylic acid derivativesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundhydroxy fatty acidorganic cationorganic saltalcoholtetraalkylammonium saltquaternary ammonium salthydroxy acidmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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