| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 17:14:11 UTC |
|---|
| Update Date | 2025-03-25 01:46:09 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02512215 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H10O3 |
|---|
| Molecular Mass | 130.063 |
|---|
| SMILES | CCC(C(C)=O)=C(O)O |
|---|
| InChI Key | YRGRRLONBCLPSX-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | alpha-branched alpha,beta-unsaturated ketones |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | acryloyl compoundsenoneshydrocarbon derivativesketonesorganic oxidesvinylogous acids |
|---|
| Substituents | alpha-branched alpha,beta-unsaturated-ketonealiphatic acyclic compoundketonevinylogous acidorganic oxidehydrocarbon derivativeacryloyl-groupenone |
|---|
