| Record Information |
|---|
| HMDB Status | expected |
|---|
| Creation Date | 2024-02-20 23:33:38 UTC |
|---|
| Update Date | 2025-03-21 17:56:11 UTC |
|---|
| HMDB ID | HMDB0000398 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00000575 |
|---|
| Name | 3-Oxoadipic acid |
|---|
| Frequency | 9376.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H8O5 |
|---|
| Molecular Mass | 160.0372 |
|---|
| SMILES | O=C(O)CCC(=O)CC(=O)O |
|---|
| InChI Key | RTGHRDFWYQHVFW-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 | beta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsdicarboxylic acids and derivativesgamma-keto acids and derivativeshydrocarbon derivativesorganic oxides |
|---|
| Substituents | beta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidcarboxylic acid derivativebeta-keto acidgamma-keto acidketoneorganic oxideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compoundmedium-chain keto acid |
|---|
