| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:54:53 UTC |
|---|
| Update Date | 2025-03-25 00:51:50 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02189648 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C26H28F2N2O4 |
|---|
| Molecular Mass | 470.2017 |
|---|
| SMILES | CC(C)c1c(C(=O)O)c(-c2ccc(F)cc2)c(-c2ccc(F)cc2)n1CCCCC(N)C(=O)O |
|---|
| InChI Key | QZDMQPJISZWJHJ-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 | alpha amino acids |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1-carboxy-2-haloaromatic compoundsaryl fluoridesazacyclic compoundscarbonyl compoundsdicarboxylic acids and derivativesfluorobenzeneshalogenated fatty acidsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativesmedium-chain fatty acidsmonoalkylaminesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundspyrrole carboxylic acidssubstituted pyrrolesvinylogous amides |
|---|
| Substituents | aryl fluoridefatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpyrrole-3-carboxylic acid or derivativesheterocyclic fatty acidfatty acidsubstituted pyrroleorganohalogen compoundfluorobenzeneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acid1-carboxy-2-haloaromatic compoundorganoheterocyclic compoundhalogenated fatty acidvinylogous amideazacycleorganofluorideheteroaromatic compoundaryl halideorganic oxygen compoundpyrroledicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundhalobenzenepyrrole-3-carboxylic acidorganooxygen compound |
|---|
