| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:02:46 UTC |
|---|
| Update Date | 2025-03-25 00:54:37 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02207569 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C5H8O7 |
|---|
| Molecular Mass | 180.027 |
|---|
| SMILES | O=C(CC(O)C(O)C(=O)O)OO |
|---|
| InChI Key | JIXJGFNALKFPQG-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | hydroxy acids and derivatives |
|---|
| Subclass | beta hydroxy acids and derivatives |
|---|
| Direct Parent | beta hydroxy acids and derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | 1,2-diolsalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmonosaccharidesorganic hydroperoxidesorganic oxidesperoxolsperoxycarboxylic acids and derivativessecondary alcoholsshort-chain hydroxy acids and derivatives |
|---|
| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidalpha-hydroxy acidmonosaccharidefatty acidhydroperoxidecarboxylic acid derivativebeta-hydroxy acidsaccharideorganic oxideperoxycarboxylic acid or derivativeshydroxy fatty acid1,2-diolalcoholperoxolorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
|---|
