| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:48:53 UTC |
|---|
| Update Date | 2025-03-25 00:49:41 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02175944 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H16O7 |
|---|
| Molecular Mass | 236.0896 |
|---|
| SMILES | CCC(=O)OCC(O)C(O)C(C)(O)C(=O)O |
|---|
| InChI Key | HEQPHWILVWNQBK-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 | alpha hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmethyl-branched fatty acidsmonosaccharidesorganic oxidessecondary alcoholsshort-chain hydroxy acids and derivativestertiary alcohols |
|---|
| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidalpha-hydroxy acidmonosaccharidefatty acidcarboxylic acid derivativebeta-hydroxy acidsaccharideorganic oxidehydroxy fatty acidalcoholmethyl-branched fatty acidbranched fatty acidtertiary alcoholorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
|---|
