| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:41:05 UTC |
|---|
| Update Date | 2025-03-25 00:46:55 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02158177 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H15NO6 |
|---|
| Molecular Mass | 257.0899 |
|---|
| SMILES | O=C(O)CN=C(O)CCC=C1CC(O)CC(=O)O1 |
|---|
| InChI Key | NOYDLYUADRXJNE-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | amino acids, peptides, and analogues |
|---|
| Direct Parent | alpha amino acids |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | carbonyl compoundscarboximidic acidscarboxylic acidsdelta valerolactonesdicarboxylic acids and derivativesenol estershydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespropargyl-type 1,3-dipolar organic compoundssecondary alcohols |
|---|
| Substituents | carboximidic acidcarbonyl groupcarboxylic aciddelta valerolactonepropargyl-type 1,3-dipolar organic compoundlactoneorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneenol esterdelta_valerolactoneorganoheterocyclic compoundalcoholorganic 1,3-dipolar compoundoxacycleorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
