| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:55:13 UTC |
|---|
| Update Date | 2025-03-21 18:04:30 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00050998 |
|---|
| Frequency | 64.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H24N2O7 |
|---|
| Molecular Mass | 308.1584 |
|---|
| SMILES | NC(CCCCNCC1(O)OC(CO)C(CO)O1)C(=O)O |
|---|
| InChI Key | ZQWWSGYSCKEAOM-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 | 1,3-dioxolanesamino acidsamino fatty acidscarbonyl compoundscarboxylic acidsdialkylaminesheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsorthocarboxylic acid derivativesoxacyclic compoundsprimary alcohols |
|---|
| Substituents | fatty acylmeta-dioxolanecarbonyl groupcarboxylic acidamino acidheterocyclic fatty acidfatty acidmedium-chain hydroxy acidorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidorthocarboxylic acid derivativeprimary alcoholorganoheterocyclic compoundalcoholsecondary aliphatic aminesecondary amineamino fatty acidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
|---|
