| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 13:32:46 UTC |
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| Update Date | 2025-03-24 22:07:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01997090 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C50H98N2O10P+ |
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| Molecular Mass | 917.6954 |
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| SMILES | CCCCCCCC=CCCCCCCCC(O)C(COP(=O)(O)OCC[N+](C)(C)C)NC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCC(=O)O |
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| InChI Key | QDCVBZDJRFGDOY-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 acid esterscarboxylic acidsdialkyl phosphatesdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesn-acyl aminesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundsphosphoethanolaminessecondary alcoholssecondary carboxylic acid amidestetraalkylammonium salts |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty amidecarboxylic acid derivativemedium-chain hydroxy acidphosphoethanolamineorganic oxideorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidorganic cationorganic saltalcoholtetraalkylammonium saltcarboxamide groupn-acyl-aminephosphocholinesecondary carboxylic acid amidefatty acid esterdialkyl phosphateorganic oxygen compoundphosphoric acid estercarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compound |
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