| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:52 UTC |
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| Update Date | 2025-03-25 00:48:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02166780 |
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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)(C)C(N=CC=C1C=C(C(=O)O)CCC1)C(=O)O |
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| InChI Key | YBBNMNLEQPRZPD-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 | valine 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 acidiminevaline or derivativesorganic 1,3-dipolar compoundbranched fatty acidpropargyl-type 1,3-dipolar organic compoundaldimineorganic oxideorganic oxygen compoundorganonitrogen compoundalpha-amino acidaliphatic homomonocyclic compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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