| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:53:03 UTC |
|---|
| Update Date | 2025-03-21 18:03:41 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00045868 |
|---|
| Frequency | 73.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H10O7 |
|---|
| Molecular Mass | 194.0427 |
|---|
| SMILES | O=C(O)C(C(=O)O)C(O)C(O)CO |
|---|
| InChI Key | CWLVQZIZOYKDJT-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 | 1,3-dicarbonyl compoundsbranched fatty acidscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsorganic oxidesprimary alcoholssecondary alcoholsshort-chain hydroxy acids and derivatives |
|---|
| Substituents | alcoholfatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidfatty acidcarboxylic acid derivativebranched fatty acidbeta-hydroxy acidorganic oxideorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativehydroxy fatty acid1,3-dicarbonyl compoundprimary alcoholorganooxygen compound |
|---|
