| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:44:10 UTC |
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| Update Date | 2025-03-21 18:00:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00024687 |
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| Frequency | 157.6 |
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| Structure | |
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| Chemical Formula | C8H19NO7P+ |
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| Molecular Mass | 272.0894 |
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| SMILES | C[N+](C)(C)CCOP(=O)(O)OCC(O)C(=O)O |
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| InChI Key | CCTQQKDNRDBZJY-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 | alpha hydroxy acids and derivativesaminescarbonyl compoundscarboxylic acidsdialkyl phosphateshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundssecondary alcoholssugar acids and derivativestetraalkylammonium salts |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidalpha-hydroxy acidmonosaccharidecarboxylic acid derivativesaccharideorganic oxideglyceric_acidorganopnictogen compoundorganic cationorganic saltalcoholtetraalkylammonium salthydroxy acidphosphocholinedialkyl phosphatemonocarboxylic acid or derivativesorganic oxygen compoundphosphoric acid estersecondary alcoholhydrocarbon derivativeorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compound |
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