| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:49:14 UTC |
|---|
| Update Date | 2025-03-21 18:02:10 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00036725 |
|---|
| Frequency | 96.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H13NO4 |
|---|
| Molecular Mass | 175.0845 |
|---|
| SMILES | CC(=O)NC(CC(=O)O)C(C)O |
|---|
| InChI Key | LNALQGWBHGKNHR-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 | beta amino acids and derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | acetamidescarbonyl compoundscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amidesshort-chain hydroxy acids and derivatives |
|---|
| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidfatty acidorganic oxideorganonitrogen compoundorganopnictogen compoundhydroxy fatty acidacetamidealcoholmethyl-branched fatty acidcarboxamide groupbranched fatty acidbeta amino acid or derivativessecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
