| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:17:02 UTC |
|---|
| Update Date | 2025-03-25 00:59:56 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02240160 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H20N2O7 |
|---|
| Molecular Mass | 292.1271 |
|---|
| SMILES | NC(CCCNCC1OC(=O)C(O)C(O)C1O)C(=O)O |
|---|
| InChI Key | OBBATHNCZMMMBO-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbohydrates and carbohydrate conjugates |
|---|
| Direct Parent | gluconolactones |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | alpha amino acidsamino acidscarbonyl compoundscarboxylic acid esterscarboxylic acidsdelta valerolactonesdialkylaminesdicarboxylic acids and derivativesheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanessecondary alcoholsshort-chain hydroxy acids and derivatives |
|---|
| Substituents | fatty acylcarbonyl groupcarboxylic acidshort-chain hydroxy acidamino acid or derivativesamino acidheterocyclic fatty aciddelta valerolactonefatty acidalpha-amino acid or derivativescarboxylic acid derivativelactoneorganic oxidegluconolactonealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidoxanedelta_valerolactoneorganoheterocyclic compoundalcoholsecondary aliphatic aminesecondary amineoxacyclecarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundamine |
|---|
