| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:12:22 UTC |
|---|
| Update Date | 2025-03-25 00:58:15 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02229583 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H18O7 |
|---|
| Molecular Mass | 274.1053 |
|---|
| SMILES | CCCCC(=O)OC1C(=O)CC(O)(C(=O)O)CC1O |
|---|
| InChI Key | DHQYHYPEFBHKFB-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | lipids and lipid-like molecules |
|---|
| Class | fatty acyls |
|---|
| Subclass | fatty acid esters |
|---|
| Direct Parent | fatty acid esters |
|---|
| Geometric Descriptor | aliphatic homomonocyclic compounds |
|---|
| Alternative Parents | alpha hydroxy acids and derivativesalpha-acyloxy ketonescarboxylic acid esterscarboxylic acidscyclic ketonescyclitols and derivativesdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidessecondary alcoholstertiary alcohols |
|---|
| Substituents | alcoholcarbonyl groupcarboxylic acidalpha-acyloxy ketonealpha-hydroxy acidcyclitol or derivativescyclic ketonehydroxy acidcyclic alcoholcarboxylic acid derivativeketonefatty acid estertertiary alcoholorganic oxideorganic oxygen compoundcarboxylic acid estersecondary alcoholaliphatic homomonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
|---|
