| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:23:15 UTC |
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| Update Date | 2025-03-25 01:02:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02254443 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H21NO4 |
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| Molecular Mass | 279.1471 |
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| SMILES | CC(C)CC(N=CC=C1CC=CC(C(=O)O)C1)C(=O)O |
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| InChI Key | HZPIGDBBTBBZOT-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 | leucine and derivatives |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | aldiminesalpha amino acidscarbocyclic fatty acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesfatty acylshydrocarbon derivativesmethyl-branched fatty acidsorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | fatty acylcarbocyclic fatty acidcarbonyl groupcarboxylic acidmethyl-branched fatty acidimineorganic 1,3-dipolar compoundbranched fatty acidpropargyl-type 1,3-dipolar organic compoundaldimineorganic oxideorganic oxygen compoundleucine or derivativesorganonitrogen compoundalpha-amino acidaliphatic homomonocyclic compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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