| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 04:39:28 UTC |
|---|
| Update Date | 2025-03-24 14:00:13 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00721385 |
|---|
| Frequency | 2.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C5H7NO3 |
|---|
| Molecular Mass | 129.0426 |
|---|
| SMILES | CC(O)(CC#N)C(=O)O |
|---|
| InChI Key | VNMIMBNRFOEUEL-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | lipids and lipid-like molecules |
|---|
| Class | fatty acyls |
|---|
| Subclass | fatty acids and conjugates |
|---|
| Direct Parent | hydroxy fatty acids |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | alpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmethyl-branched fatty acidsmonocarboxylic acids and derivativesnitrilesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsshort-chain hydroxy acids and derivativestertiary alcohols |
|---|
| Substituents | aliphatic acyclic compoundcarbonyl groupnitrilecarboxylic acidshort-chain hydroxy acidalpha-hydroxy acidcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundhydroxy fatty acidcarbonitrilealcoholmethyl-branched fatty acidhydroxy acidbranched fatty acidtertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
