| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:08:15 UTC |
|---|
| Update Date | 2025-03-25 00:56:45 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02220456 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H20N4O2S |
|---|
| Molecular Mass | 248.1307 |
|---|
| SMILES | CSCCC(NC(=N)NCCCN)C(=O)O |
|---|
| InChI Key | DOIFJRWIJKMGKB-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 | methionine and derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | alpha amino acidscarbonyl compoundscarboximidamidescarboxylic acidsdialkylthioethersguanidineshydrocarbon derivativesiminesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundssulfenyl compoundsthia fatty acids |
|---|
| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidguanidineiminefatty acidorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundsulfenyl compounddialkylthioethercarboximidamidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioethermethionine or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
|---|
