| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:04:08 UTC |
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| Update Date | 2025-03-21 18:28:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00072058 |
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| Frequency | 41.5 |
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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 | CCOC(=O)C(N)C(C)CC |
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| InChI Key | ICPWNTVICOHCML-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 acid estersalpha amino acidscarbonyl compoundscarboxylic acid estersfatty acid estershydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupalpha-amino acid esterfatty acid esterorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundisoleucine or derivativesorganooxygen compound |
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