| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 07:10:58 UTC |
|---|
| Update Date | 2025-03-24 19:56:19 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID01083577 |
|---|
| Frequency | 1.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H11NO2 |
|---|
| Molecular Mass | 129.079 |
|---|
| SMILES | CNCC=C(C)C(=O)O |
|---|
| InChI Key | LPMRKUJVAPNYBP-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | lipids and lipid-like molecules |
|---|
| Class | fatty acyls |
|---|
| Subclass | fatty acids and conjugates |
|---|
| Direct Parent | methyl-branched fatty acids |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | amino acidscarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsunsaturated fatty acids |
|---|
| Substituents | aliphatic acyclic compoundsecondary aliphatic aminecarbonyl groupcarboxylic acidmethyl-branched fatty acidamino acid or derivativesamino acidsecondary aminecarboxylic acid derivativeunsaturated fatty acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
|---|
