| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:06:42 UTC |
|---|
| Update Date | 2025-03-25 00:56:12 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02216815 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C29H38N4O5S2 |
|---|
| Molecular Mass | 586.2284 |
|---|
| SMILES | CCC1=C(C)C(=O)NC1Cc1[nH]c(Cc2[nH]c(CSCCN=C=S)c(C)c2CCC(=O)O)c(CCC(=O)O)c1C |
|---|
| InChI Key | REYMOSMEGQFODR-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | dicarboxylic acids and derivatives |
|---|
| Direct Parent | dicarboxylic acids and derivatives |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersheteroaromatic compoundshydrocarbon derivativesisothiocyanateslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrrolespyrrolinessecondary carboxylic acid amidessulfenyl compounds |
|---|
| Substituents | isothiocyanatecarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundsulfenyl compoundazacycledialkylthioetherheteroaromatic compoundorganic 1,3-dipolar compoundcarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundpyrrolinethioetherpyrroledicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
