| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:22:49 UTC |
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| Update Date | 2025-03-21 18:37:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00117204 |
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| Frequency | 35.7 |
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| Structure | |
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| Chemical Formula | C13H23NO3 |
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| Molecular Mass | 241.1678 |
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| SMILES | CCCCC=CC(O)=NC(C(=O)O)C(C)CC |
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| InChI Key | PTPSYKWPASEYQB-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 compoundscarboximidic acidscarboxylic acidsfatty acylshydrocarbon derivativesmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundsshort-chain hydroxy acids and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarboximidic acidcarbonyl groupcarboxylic acidmethyl-branched fatty acidshort-chain hydroxy acidorganic 1,3-dipolar compoundbranched fatty acidpropargyl-type 1,3-dipolar organic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundisoleucine or derivativesorganooxygen compound |
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