| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:36:23 UTC |
|---|
| Update Date | 2025-03-21 17:57:18 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00007014 |
|---|
| Frequency | 728.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H12O7 |
|---|
| Molecular Mass | 208.0583 |
|---|
| SMILES | O=C(O)C(=O)CC(O)C(O)C(O)CO |
|---|
| InChI Key | LVRIRMAKAGGWQR-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | keto acids and derivatives |
|---|
| Subclass | medium-chain keto acids and derivatives |
|---|
| Direct Parent | medium-chain keto acids and derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | alpha-hydroxy ketonesalpha-keto acids and derivativesbeta-hydroxy ketonescarboxylic acidsfatty acylshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesprimary alcoholssecondary alcohols |
|---|
| Substituents | alcoholfatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidmonosaccharidealpha-hydroxy ketonecarboxylic acid derivativeketonesaccharideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundalpha-keto acidsecondary alcoholhydrocarbon derivativehydroxy fatty acidprimary alcoholorganooxygen compoundmedium-chain keto acid |
|---|
