| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:48:43 UTC |
|---|
| Update Date | 2025-03-25 00:49:37 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02175545 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H15NO6 |
|---|
| Molecular Mass | 233.0899 |
|---|
| SMILES | CC(C)CC(=NC(O)C(=O)O)C(O)C(=O)O |
|---|
| InChI Key | DOIVWFFIWINBEZ-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 acyclic compounds |
|---|
| Alternative Parents | alkanolaminesalpha hydroxy acids and derivativesamino fatty acidsbranched fatty acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary alcoholssecondary ketimines |
|---|
| Substituents | fatty acylaliphatic acyclic compoundketiminecarbonyl groupcarboxylic acidiminealpha-hydroxy acidmonosaccharidefatty acidmedium-chain hydroxy acidpropargyl-type 1,3-dipolar organic compoundsecondary ketiminesaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidalkanolaminealcoholorganic 1,3-dipolar compoundhydroxy acidamino fatty acidbranched fatty acidorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
