| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:09:15 UTC |
|---|
| Update Date | 2025-03-25 00:57:07 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02222759 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H15N3O5S |
|---|
| Molecular Mass | 337.0732 |
|---|
| SMILES | O=NSCC(NC(Cc1c[nH]c2ccccc12)C(=O)O)C(=O)O |
|---|
| InChI Key | ZDJJCOWXNNPMJJ-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 | cysteine and derivatives |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | alpha amino acidsamino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesindolesnitrosothiolsorganic oxidesorganopnictogen compoundspyrrolessulfenyl compounds |
|---|
| Substituents | carbonyl groupcarboxylic acidamino acidindoleorganosulfur compoundnitrosothiolorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundorganic s-nitroso compoundsecondary aliphatic amineorganic nitroso compoundsulfenyl compoundazacycleheteroaromatic compoundindole or derivativessecondary amineorganic oxygen compoundcysteine or derivativespyrroledicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundaminenitrosothiol-group |
|---|
