| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:52:40 UTC |
|---|
| Update Date | 2025-03-25 00:51:03 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02184527 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H15N3O4S2 |
|---|
| Molecular Mass | 293.0504 |
|---|
| SMILES | NC(CCSCC(N=C=S)NCC(=O)O)C(=O)O |
|---|
| InChI Key | VSKKQIFIAPEMLL-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 acidscarbonyl compoundscarboxylic acidsdialkylaminesdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativesisothiocyanatesmonoalkylaminesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssulfenyl compoundsthia fatty acids |
|---|
| Substituents | fatty acylaliphatic acyclic compoundisothiocyanatecarbonyl groupcarboxylic acidamino acidfatty acidorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundsecondary aliphatic aminesulfenyl compounddialkylthioetherorganic 1,3-dipolar compoundsecondary aminethia fatty acidorganic oxygen compoundthioetherdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
|---|
