| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:03:02 UTC |
|---|
| Update Date | 2025-03-25 00:54:43 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02208183 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H14O5 |
|---|
| Molecular Mass | 202.0841 |
|---|
| SMILES | CC(C=CCCC(=O)O)C(O)C(=O)O |
|---|
| InChI Key | WTHPPLLBVUAUOM-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | hydroxy acids and derivatives |
|---|
| Subclass | medium-chain hydroxy acids and derivatives |
|---|
| Direct Parent | medium-chain hydroxy acids and derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | alpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesfatty alcoholshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmethyl-branched fatty acidsorganic oxidessecondary alcohols |
|---|
| Substituents | alcoholfatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidmethyl-branched fatty acidalpha-hydroxy acidcarboxylic acid derivativebranched fatty acidmedium-chain hydroxy acidorganic oxideorganic oxygen compoundfatty alcoholsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativemedium-chain fatty acidhydroxy fatty acidorganooxygen compound |
|---|
