| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:46:23 UTC |
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| Update Date | 2025-03-21 18:00:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00029879 |
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| Frequency | 124.7 |
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| Structure | |
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| Chemical Formula | C7H17NO6P+ |
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| Molecular Mass | 242.0788 |
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| SMILES | C[N+](C)(C)CC(CC(=O)O)OP(=O)(O)O |
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| InChI Key | WJPPAFSASXHVSG-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 | phosphocholines |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | aminescarbonyl compoundscarboxylic acidsfatty acids and conjugateshydrocarbon derivativesmonoalkyl phosphatesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundsshort-chain hydroxy acids and derivativestetraalkylammonium salts |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidfatty acidcarboxylic acid derivativeorganic oxideorganopnictogen compoundorganic cationorganic salttetraalkylammonium saltphosphocholinemonocarboxylic acid or derivativesorganic oxygen compoundphosphoric acid estermonoalkyl phosphatehydrocarbon derivativeorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compound |
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