| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:50:28 UTC |
|---|
| Update Date | 2025-03-25 00:50:13 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02179576 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H26N4O5S3 |
|---|
| Molecular Mass | 414.1065 |
|---|
| SMILES | CS(=O)CCCCNC(=C[N+](=O)[O-])NCCSSCCC(N)C(=O)O |
|---|
| InChI Key | VVGAMVYBPDKBEJ-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 acyclic compounds |
|---|
| Alternative Parents | amino acidsc-nitro compoundscarbonyl compoundscarboxylic acidsdialkylaminesdialkyldisulfidesfatty acylshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssulfenyl compoundssulfinyl compoundssulfoxidesthia fatty acids |
|---|
| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidallyl-type 1,3-dipolar organic compoundorganosulfur compoundorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidesulfinyl compoundc-nitro compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic oxoazaniumsecondary aliphatic aminesulfenyl compoundorganic 1,3-dipolar compoundsecondary aminedialkyldisulfidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundorganic disulfidesulfoxidehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamineorganic hyponitrite |
|---|
