| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:36:38 UTC |
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| Update Date | 2025-03-21 17:57:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00007609 |
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| Frequency | 659.7 |
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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(NC)C(=O)O |
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| InChI Key | KSPIYJQBLVDRRI-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 acidsdialkylamineshydrocarbon derivativesmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidfatty acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundisoleucine or derivativessecondary aliphatic aminemethyl-branched fatty acidsecondary aminebranched fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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