| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:08:53 UTC |
|---|
| Update Date | 2025-03-21 18:30:54 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00083512 |
|---|
| Frequency | 34.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H9N5O3 |
|---|
| Molecular Mass | 223.0705 |
|---|
| SMILES | Nc1nc(=O)c2c([nH]1)NCCC(C(=O)O)=N2 |
|---|
| InChI Key | KHAMUMTYEWEJEG-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | pyrimidodiazepines |
|---|
| Subclass | pyrimidodiazepines |
|---|
| Direct Parent | pyrimidodiazepines |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1,4-diazepinesamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesketiminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminespropargyl-type 1,3-dipolar organic compoundspyrimidonessecondary alkylarylaminesvinylogous amides |
|---|
| Substituents | ketiminecarbonyl groupcarboxylic acidamino acid or derivativesamino acidiminepyrimidonecarboxylic acid derivativepyrimidinepropargyl-type 1,3-dipolar organic compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundpyrimidodiazepinevinylogous amideazacycleheteroaromatic compoundorganic 1,3-dipolar compoundsecondary aminesecondary aliphatic/aromatic aminemonocarboxylic acid or derivativespara-diazepineorganic oxygen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
|---|
