| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:02:33 UTC |
|---|
| Update Date | 2025-03-21 18:07:16 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00068242 |
|---|
| Frequency | 44.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H22N2O9 |
|---|
| Molecular Mass | 338.1325 |
|---|
| SMILES | NCCCCC(C(=O)O)N(O)C1OC(C(=O)O)C(O)C(O)C1O |
|---|
| InChI Key | YBFJUMLPKRNYIM-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbohydrates and carbohydrate conjugates |
|---|
| Direct Parent | n-glucuronides |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | alpha amino acidsamino fatty acidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativesheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesmonosaccharidesn-organohydroxylaminesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcohols |
|---|
| Substituents | fatty acylcarbonyl groupcarboxylic acidheterocyclic fatty acidmonosaccharidefatty acidalpha-amino acid or derivativescarboxylic acid derivativepyran carboxylic acidmedium-chain hydroxy acidn-glucuronidebeta-hydroxy acidorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acidamino fatty acidn-organohydroxylamineoxacyclepyransecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compound |
|---|
