| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:59:03 UTC |
|---|
| Update Date | 2025-03-25 00:53:20 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02199074 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H15N5O4S2 |
|---|
| Molecular Mass | 345.0565 |
|---|
| SMILES | NC(N)=Nc1nc(CSCCC(=NCC(=O)O)C(=O)O)cs1 |
|---|
| InChI Key | COCJLNAAKURKDJ-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 | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 2,4-disubstituted thiazolesazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativesfatty acylsguanidinesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary ketiminessulfenyl compoundsthia fatty acids |
|---|
| Substituents | fatty acylketiminecarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundguanidineimineorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundsecondary ketimineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazolesulfenyl compoundazacycledialkylthioetherheteroaromatic compoundorganic 1,3-dipolar compoundthia fatty acidorganic oxygen compoundthioether2,4-disubstituted 1,3-thiazoledicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundthiazoleorganooxygen compound |
|---|
