| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:56:22 UTC |
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| Update Date | 2025-03-25 00:52:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02192948 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H23N2O3+ |
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| Molecular Mass | 243.1703 |
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| SMILES | CCCCC(C(=C=O)NCC(=O)O)[N+](C)(C)C |
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| InChI Key | TYUBPMWJLWCONE-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 | amino acidscarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundstetraalkylammonium saltsynolates |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationorganic saltsecondary aliphatic aminetetraalkylammonium saltquaternary ammonium saltsecondary aminemonocarboxylic acid or derivativesorganic oxygen compoundynolatehydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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