| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:54:44 UTC |
|---|
| Update Date | 2025-03-25 00:51:46 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02189311 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H18N2O3 |
|---|
| Molecular Mass | 238.1317 |
|---|
| SMILES | CC(C)CC(N=CC=C1CCC(=O)N1)C(=O)O |
|---|
| InChI Key | XCWMUFXTHDYNNO-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | amino acids, peptides, and analogues |
|---|
| Direct Parent | leucine and derivatives |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | aldiminesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsfatty acylsheterocyclic fatty acidshydrocarbon derivativeslactamsmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrrolidine-2-onessecondary carboxylic acid amides |
|---|
| Substituents | fatty acyl2-pyrrolidonecarbonyl grouplactamcarboxylic acidheterocyclic fatty acidiminepropargyl-type 1,3-dipolar organic compoundaldimineorganic oxideleucine or derivativesaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidinepyrrolidoneorganoheterocyclic compoundmethyl-branched fatty acidazacycleorganic 1,3-dipolar compoundcarboxamide groupbranched fatty acidsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
