| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 03:08:35 UTC |
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| Update Date | 2025-03-21 22:10:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00505700 |
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| Frequency | 3.4 |
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| Structure | |
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| Chemical Formula | C5H9NO2+ |
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| Molecular Mass | 115.0628 |
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| SMILES | CC(C)C([N+])C(=O)O |
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| InChI Key | RCGQIIZEXFRLMT-UHFFFAOYSA-N |
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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 | valine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidmethyl-branched fatty acidvaline or derivativesfatty acidbranched fatty acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationorganooxygen compound |
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