| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:49:09 UTC |
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| Update Date | 2025-03-21 18:02:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00036506 |
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| Frequency | 96.9 |
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| Structure | |
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| Chemical Formula | C8H17NO2 |
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| Molecular Mass | 159.1259 |
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| SMILES | CCC(C)C(C(=O)O)N(C)C |
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| InChI Key | OQJJVXKMPUJFJK-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 acidsamino acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundstrialkylamines |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidfatty acidorganic oxidealpha-amino acidorganonitrogen compoundorganopnictogen compoundisoleucine or derivativestertiary aminemethyl-branched fatty acidtertiary aliphatic aminebranched fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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