| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:58:56 UTC |
|---|
| Update Date | 2025-03-21 18:05:53 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00059636 |
|---|
| Frequency | 52.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H15N7O3S |
|---|
| Molecular Mass | 349.0957 |
|---|
| SMILES | Nc1nc(=O)c2c([nH]1)NCC(CNc1ccc(S(N)(=O)=O)cc1)=N2 |
|---|
| InChI Key | SHSAEMYBWBFTRG-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | pteridines and derivatives |
|---|
| Subclass | pterins and derivatives |
|---|
| Direct Parent | pterins and derivatives |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | aminosulfonyl compoundsazacyclic compoundsbenzenesulfonamidesbenzenesulfonyl compoundsheteroaromatic compoundshydrocarbon derivativesketiminesorganic oxidesorganooxygen compoundsorganopnictogen compoundsorganosulfonamidesphenylalkylaminesprimary aminespropargyl-type 1,3-dipolar organic compoundspyrimidonessecondary alkylarylaminesvinylogous amides |
|---|
| Substituents | ketimineorganosulfonic acid or derivativesmonocyclic benzene moietyiminepyrimidoneorganosulfur compoundpyrimidinepropargyl-type 1,3-dipolar organic compoundorganosulfonic acid amideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundbenzenesulfonyl groupvinylogous amidepterinbenzenesulfonamideazacycleaminosulfonyl compoundheteroaromatic compoundorganic 1,3-dipolar compoundsecondary aminesecondary aliphatic/aromatic aminesulfonylorganic oxygen compoundorganic sulfonic acid or derivativesphenylalkylaminehydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundamineorganooxygen compound |
|---|
