| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:38:01 UTC |
|---|
| Update Date | 2025-03-21 17:57:53 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00010865 |
|---|
| Frequency | 430.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H8O5 |
|---|
| Molecular Mass | 160.0372 |
|---|
| SMILES | COC(=O)CCC(=O)C(=O)O |
|---|
| InChI Key | SEMQYOVMBDIELH-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | keto acids and derivatives |
|---|
| Subclass | gamma-keto acids and derivatives |
|---|
| Direct Parent | gamma-keto acids and derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | alpha-hydroxy ketonesalpha-keto acids and derivativescarboxylic acidsdicarboxylic acids and derivativesfatty acid methyl estershydrocarbon derivativesmethyl estersorganic oxidesshort-chain keto acids and derivatives |
|---|
| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain keto acidalpha-hydroxy ketonecarboxylic acid derivativegamma-keto acidketonefatty acid esterorganic oxidefatty acid methyl estermethyl esterorganic oxygen compoundcarboxylic acid esteralpha-keto aciddicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
|---|
