| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:53 UTC |
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| Update Date | 2025-03-21 18:39:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00126771 |
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| Frequency | 20.2 |
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| Structure | |
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| Chemical Formula | C10H20NO5+ |
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| Molecular Mass | 234.1336 |
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| SMILES | C[N+](C)(C)CCOC(=O)CCC(O)C(=O)O |
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| InChI Key | HOXIIJYKCBPCSX-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic nitrogen compounds |
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| Class | organonitrogen compounds |
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| Subclass | quaternary ammonium salts |
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| Direct Parent | acyl cholines |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativesaminescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativeshydroxy fatty acidsmonosaccharidesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundssecondary alcoholsshort-chain hydroxy acids and derivativestetraalkylammonium salts |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidalpha-hydroxy acidmonosaccharidecarboxylic acid derivativesaccharideorganic oxideorganopnictogen compoundhydroxy fatty acidorganic cationorganic saltalcoholtetraalkylammonium salthydroxy acidfatty acid esterorganic oxygen compoundcarboxylic acid estersecondary alcoholacyl cholinedicarboxylic acid or derivativeshydrocarbon derivativeamineorganooxygen compound |
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