| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:48 UTC |
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| Update Date | 2025-03-21 18:39:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00126572 |
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| Frequency | 31.5 |
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| Structure | |
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| Chemical Formula | C9H15NO3 |
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| Molecular Mass | 185.1052 |
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| SMILES | C=CC(=O)NC(C(=O)O)C(C)CC |
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| InChI Key | XBGOFJJLPHWJRB-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 acidsfatty acylshydrocarbon derivativesmethyl-branched fatty acidsmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidmethyl-branched fatty acidn-acyl-alpha-amino acidcarboxamide groupbranched fatty acidsecondary carboxylic acid amideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundisoleucine or derivativesorganooxygen compoundn-acyl-alpha amino acid or derivatives |
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