| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:28 UTC |
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| Update Date | 2025-03-25 00:49:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02174950 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H29N2O4+ |
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| Molecular Mass | 289.2122 |
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| SMILES | CCCCCC(NCC(=O)O)C(=O)OCC[N+](C)(C)C |
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| InChI Key | QRIKRXZMDOPODB-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 acid esters |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acyl cholinesalpha amino acidsamino acidscarbonyl compoundscarboxylic acid esterscarboxylic acidsdialkylaminesdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundstetraalkylammonium salts |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationorganic saltsecondary aliphatic aminetetraalkylammonium saltalpha-amino acid esterquaternary ammonium saltsecondary aminefatty acid esterorganic oxygen compoundcarboxylic acid esteracyl cholinedicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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