| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 10:30:16 UTC |
|---|
| Update Date | 2025-03-24 20:46:59 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID01563203 |
|---|
| Frequency | 0.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C5H5NO3 |
|---|
| Molecular Mass | 127.0269 |
|---|
| SMILES | CC(C(=O)O)C(=O)C#N |
|---|
| InChI Key | OZYICQXVWWIREC-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | keto acids and derivatives |
|---|
| Subclass | short-chain keto acids and derivatives |
|---|
| Direct Parent | short-chain keto acids and derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | 1,3-dicarbonyl compoundsacyl cyanidesbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsfatty acylshydrocarbon derivativesmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
|---|
| Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupnitrilecarboxylic acidshort-chain keto acidcarboxylic acid derivativebeta-keto acidketoneorganic oxideorganonitrogen compoundorganopnictogen compoundcarbonitrilemethyl-branched fatty acidbranched fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundacyl cyanidehydrocarbon derivativeorganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compound |
|---|
