| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:45:47 UTC |
|---|
| Update Date | 2025-03-25 00:48:33 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02168821 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H23NO8 |
|---|
| Molecular Mass | 333.1424 |
|---|
| SMILES | CC(C)CC(NC(=O)OC1CCC(O)(C(=O)O)CC1O)C(=O)O |
|---|
| InChI Key | LJOZXSAYEMXYBH-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 homomonocyclic compounds |
|---|
| Alternative Parents | alpha amino acidsalpha hydroxy acids and derivativescarbamate esterscarbocyclic fatty acidscarbonyl compoundscarboxylic acidscyclitols and derivativescyclohexanolsdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmethyl-branched fatty acidsorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsshort-chain hydroxy acids and derivativestertiary alcohols |
|---|
| Substituents | fatty acylcarbocyclic fatty acidcarbonyl groupcarboxylic acidshort-chain hydroxy acidalpha-hydroxy acidfatty acidorganic oxideleucine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidalcoholcarbonic acid derivativemethyl-branched fatty acidcyclohexanolcarbamic acid estercyclitol or derivativeshydroxy acidcyclic alcoholbranched fatty acidtertiary alcoholorganic oxygen compoundsecondary alcoholaliphatic homomonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
