| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:49:00 UTC |
|---|
| Update Date | 2025-03-21 18:02:03 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00036133 |
|---|
| Frequency | 98.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H12O5 |
|---|
| Molecular Mass | 176.0685 |
|---|
| SMILES | CC(C)CC(O)(C(=O)O)C(=O)O |
|---|
| InChI Key | QOBSBFYHMPVRRQ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | lipids and lipid-like molecules |
|---|
| Class | fatty acyls |
|---|
| Subclass | fatty acids and conjugates |
|---|
| Direct Parent | hydroxy fatty acids |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | alpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmethyl-branched fatty acidsorganic oxidesshort-chain hydroxy acids and derivativestertiary alcohols |
|---|
| Substituents | alcoholaliphatic acyclic compoundcarbonyl groupcarboxylic acidmethyl-branched fatty acidshort-chain hydroxy acidalpha-hydroxy acidhydroxy acidcarboxylic acid derivativebranched fatty acidtertiary alcoholorganic oxideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativehydroxy fatty acidorganooxygen compound |
|---|
