| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:41:51 UTC |
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| Update Date | 2025-03-21 17:59:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00019465 |
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| Frequency | 210.3 |
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| Structure | |
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| Chemical Formula | C8H20N2O6P+ |
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| Molecular Mass | 271.1053 |
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| SMILES | C[N+](C)(C)CCOP(=O)(O)OCC(N)C(=O)O |
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| InChI Key | KRCJXPVQTWMDFG-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 amino acidsaminescarbonyl compoundscarboxylic acidsdialkyl phosphateshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundsphosphoethanolaminestetraalkylammonium salts |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidalpha-amino acid or derivativescarboxylic acid derivativephosphoethanolamineorganic oxidealpha-amino acidorganopnictogen compoundorganic cationorganic salttetraalkylammonium saltphosphocholinedialkyl phosphatemonocarboxylic acid or derivativesorganic oxygen compoundphosphoric acid esterhydrocarbon derivativeprimary aliphatic amineorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compound |
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