| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:45:10 UTC |
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| Update Date | 2025-03-21 18:00:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00027038 |
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| Frequency | 140.8 |
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| Structure | |
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| Chemical Formula | C7H15NO2 |
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| Molecular Mass | 145.1103 |
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| SMILES | CCC(C)(C)C(N)C(=O)O |
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| InChI Key | AQIFZAKDNFZWND-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 | isoleucine 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 acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsvaline and derivatives |
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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 derivativeprimary aliphatic amineorganic nitrogen compoundisoleucine or derivativesorganooxygen compound |
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