| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:22:31 UTC |
|---|
| Update Date | 2025-03-25 01:01:57 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02252833 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H24N2O10S |
|---|
| Molecular Mass | 388.1152 |
|---|
| SMILES | NC(CCCCNCC1OC(OS(=O)(=O)O)C(O)C(O)C1O)C(=O)O |
|---|
| InChI Key | CKYQVAQSWMTNHF-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | lipids and lipid-like molecules |
|---|
| Class | fatty acyls |
|---|
| Subclass | fatty acids and conjugates |
|---|
| Direct Parent | sulfated fatty acids |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | alkyl sulfatesalpha amino acidsamino acidscarbonyl compoundscarboxylic acidsdialkylaminesheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanessecondary alcoholssulfuric acid monoesters |
|---|
| Substituents | sulfuric acid monoestercarbonyl groupcarboxylic acidamino acid or derivativesamino acidheterocyclic fatty acidmonosaccharidealpha-amino acid or derivativescarboxylic acid derivativemedium-chain hydroxy acidsaccharideorganic oxidealkyl sulfatealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidoxaneorganoheterocyclic compoundalcoholsecondary aliphatic amineorganic sulfuric acid or derivativessecondary amineoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsulfated fatty acidsecondary alcoholsulfate-esterhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundsulfuric acid esterorganooxygen compoundamine |
|---|
