| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:50:15 UTC |
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| Update Date | 2025-03-21 18:02:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00039118 |
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| Frequency | 89.1 |
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| Structure | |
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| Chemical Formula | C8H15NO4 |
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| Molecular Mass | 189.1001 |
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| SMILES | COC(=O)NC(CC(C)C)C(=O)O |
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| InChI Key | NPRGOLCTGVFFGS-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 | leucine 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 acidsmethylcarbamatesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsshort-chain hydroxy acids and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarbonic acid derivativecarboxylic acidmethyl-branched fatty acidshort-chain hydroxy acidmethylcarbamatefatty acidcarbamic acid esterbranched fatty acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundleucine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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