| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:49 UTC |
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| Update Date | 2025-03-25 00:50:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180383 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H25N2O6+ |
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| Molecular Mass | 305.1707 |
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| SMILES | C[N+](C)(C)CCOC(=O)CC(CCC(=O)O)NCC(=O)O |
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| InChI Key | CHSMZMCORAHOLI-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acyl cholinesamino acidscarbonyl compoundscarboxylic acid esterscarboxylic acidsdialkylaminesfatty acid estershydrocarbon derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundstetraalkylammonium saltstricarboxylic acids and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidtricarboxylic acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationorganic saltsecondary aliphatic aminetetraalkylammonium saltquaternary ammonium saltsecondary aminefatty acid esterorganic oxygen compoundcarboxylic acid esteracyl cholinehydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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