| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:03:49 UTC |
|---|
| Update Date | 2025-03-25 00:55:01 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02210085 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H31N3O7S2 |
|---|
| Molecular Mass | 441.1603 |
|---|
| SMILES | CC(O)C(CSC(NCCCCS(C)=O)C(=O)O)NC(=O)CCC(N)C(=O)O |
|---|
| InChI Key | VFMSFKWPBFTDOA-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 | glutamine and derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | alpha amino acidsamino acidscarbonyl compoundscarboxylic acidsdialkylaminesdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesn-acyl aminesorganic oxidesorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amidesshort-chain hydroxy acids and derivativessulfenyl compoundssulfinyl compoundssulfoxidesthiohemiaminal derivatives |
|---|
| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidglutamine or derivativesamino acidfatty amidefatty acidorganosulfur compoundorganic oxidesulfinyl compoundorganonitrogen compoundalpha-amino acidhemithioaminalorganopnictogen compoundhydroxy fatty acidalcoholsecondary aliphatic aminesulfenyl compounddialkylthioethersecondary aminecarboxamide groupn-acyl-aminesecondary carboxylic acid amideorganic oxygen compoundthioethersulfoxidesecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
|---|
