Record Information |
---|
HMDB Status | Not Available |
---|
Creation Date | 2024-02-21 00:17:29 UTC |
---|
Update Date | 2025-03-21 18:35:09 UTC |
---|
HMDB ID | Not Available |
---|
Metabolite Identification |
---|
DeepMet ID | DMID00104182 |
---|
Frequency | 26.0 |
---|
Structure | |
---|
Chemical Formula | C10H16O5 |
---|
Molecular Mass | 216.0998 |
---|
SMILES | CCCCC=CC(=O)C(O)C(O)C(=O)O |
---|
InChI Key | AQEOOYCIKUXPMY-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 | 1,2-diolsacryloyl compoundsacyloinsalpha hydroxy acids and derivativesalpha-hydroxy ketonesbeta hydroxy acids and derivativesbeta-hydroxy ketonescarboxylic acidsenonesfatty alcoholsgamma-keto acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidessecondary alcoholsb'-hydroxy-alpha,beta-unsaturated ketones |
---|
Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidb'-hydroxy-alpha,beta-unsaturated-ketonealpha-hydroxy acidmonosaccharidealpha,beta-unsaturated ketonealpha-hydroxy ketonecarboxylic acid derivativeketonebeta-hydroxy acidsaccharideorganic oxidefatty alcoholhydroxy fatty acid1,2-diolenonealcoholhydroxy acidgamma-keto acidmonocarboxylic acid or derivativesorganic oxygen compoundacyloinsecondary alcoholhydrocarbon derivativeacryloyl-grouporganooxygen compoundmedium-chain keto acid |
---|