| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:03 UTC |
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| Update Date | 2025-03-25 00:46:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155922 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H15N2O2+ |
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| Molecular Mass | 171.1128 |
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| SMILES | C[N+](C)(C)C(CCC#N)C(=O)O |
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| InChI Key | RULZFWAWHLIQGK-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 | aminescarbonyl compoundscarboxylic acidsfatty acids and conjugateshydrocarbon derivativesmonocarboxylic acids and derivativesnitrilesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundstetraalkylammonium salts |
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| Substituents | aliphatic acyclic compoundcarbonyl groupnitrilecarboxylic acidtetraalkylammonium saltquaternary ammonium saltfatty acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundalpha-amino acidorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationorganic saltaminecarbonitrileorganooxygen compound |
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