| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:49:55 UTC |
|---|
| Update Date | 2025-03-25 00:50:03 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02178364 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H13NO3 |
|---|
| Molecular Mass | 171.0895 |
|---|
| SMILES | COC(=O)C1CC2NC1CC2O |
|---|
| InChI Key | QPQVZIWEEIVBCU-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | pyrrolidines |
|---|
| Subclass | pyrrolidine carboxylic acids and derivatives |
|---|
| Direct Parent | pyrrolidine carboxylic acids |
|---|
| Geometric Descriptor | aliphatic heteropolycyclic compounds |
|---|
| Alternative Parents | amino acids and derivativesazacyclic compoundscarbonyl compoundscyclic alcohols and derivativesdialkylamineshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundssecondary alcohols |
|---|
| Substituents | carbonyl groupamino acid or derivativescarboxylic acid derivativealiphatic heteropolycyclic compoundorganic oxidemethyl esterpyrrolidine carboxylic acidorganonitrogen compoundorganopnictogen compoundalcoholsecondary aliphatic amineazacyclecyclic alcoholsecondary aminemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
|---|
