Record Information |
---|
HMDB Status | Not Available |
---|
Creation Date | 2024-02-21 00:18:34 UTC |
---|
Update Date | 2025-03-21 18:35:41 UTC |
---|
HMDB ID | Not Available |
---|
Metabolite Identification |
---|
DeepMet ID | DMID00106824 |
---|
Frequency | 25.2 |
---|
Structure | |
---|
Chemical Formula | C6H8O2 |
---|
Molecular Mass | 112.0524 |
---|
SMILES | CC(=O)C=CCC=O |
---|
InChI Key | CRYMHJDGZMFFLM-UHFFFAOYSA-N |
---|
Chemical Taxonomy |
---|
Kingdom | organic compounds |
---|
Superclass | organic oxygen compounds |
---|
Class | organooxygen compounds |
---|
Subclass | carbonyl compounds |
---|
Direct Parent | medium-chain aldehydes |
---|
Geometric Descriptor | aliphatic acyclic compounds |
---|
Alternative Parents | acryloyl compoundsalpha-hydrogen aldehydesenoneshydrocarbon derivativesketonesorganic oxides |
---|
Substituents | aliphatic acyclic compoundalpha,beta-unsaturated ketonemedium-chain aldehydeketoneorganic oxidealpha-hydrogen aldehydehydrocarbon derivativeacryloyl-groupenone |
---|