| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:34:54 UTC |
|---|
| Update Date | 2025-03-21 17:56:47 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00003628 |
|---|
| Frequency | 1603.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H14O7 |
|---|
| Molecular Mass | 234.074 |
|---|
| SMILES | O=C(O)CCC(O)(CCC(=O)O)CC(=O)O |
|---|
| InChI Key | YJCMTBZIBUEJOZ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | tricarboxylic acids and derivatives |
|---|
| Direct Parent | tricarboxylic acids and derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | carbonyl compoundscarboxylic acidshydrocarbon derivativesorganic oxidestertiary alcohols |
|---|
| Substituents | alcoholaliphatic acyclic compoundcarbonyl grouptertiary alcoholorganic oxidecarboxylic acidorganic oxygen compoundhydrocarbon derivativetricarboxylic acid or derivativesorganooxygen compound |
|---|
