| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:52:29 UTC |
|---|
| Update Date | 2025-03-25 00:51:00 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02184126 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H24N2O8 |
|---|
| Molecular Mass | 336.1533 |
|---|
| SMILES | NC(CCCCNCC1OC(O)C(C(=O)O)C(O)C1O)C(=O)O |
|---|
| InChI Key | HGFVCYARTCTVQP-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 | 1,2-diolsamino acidsamino fatty acidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativeshemiacetalsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanessecondary alcohols |
|---|
| Substituents | fatty acylcarbonyl groupcarboxylic acidamino acidheterocyclic fatty acidmonosaccharidefatty acidmedium-chain hydroxy acidbeta-hydroxy acidsaccharideorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhemiacetalmedium-chain fatty acidhydroxy fatty acidoxaneorganoheterocyclic compound1,2-diolalcoholsecondary aliphatic aminehydroxy acidsecondary amineamino fatty acidoxacycleorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
|---|
