| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:42:36 UTC |
|---|
| Update Date | 2025-03-21 17:59:28 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00021150 |
|---|
| Frequency | 189.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H18N2O2 |
|---|
| Molecular Mass | 174.1368 |
|---|
| SMILES | CCC(C)C(N)C(=O)NCCO |
|---|
| InChI Key | YDYGHURYTBXCDC-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 | isoleucine and derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | alcohols and polyolsalkanolaminesalpha amino acid amidesalpha amino acidscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesn-acyl aminesn-acylethanolaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
|---|
| Substituents | alcoholfatty acylaliphatic acyclic compoundcarbonyl groupalpha-amino acid amidefatty amidecarboxamide groupn-acylethanolaminen-acyl-aminesecondary carboxylic acid amideorganic oxideorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundisoleucine or derivativesorganooxygen compoundalkanolamine |
|---|
