| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:38:11 UTC |
|---|
| Update Date | 2025-03-25 00:45:50 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02151560 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C18H22N6O5 |
|---|
| Molecular Mass | 402.1652 |
|---|
| SMILES | Cn1c2c(c(=O)n(C)c1=O)NC(CNc1ccc(C(=O)NCC(=O)O)cc1)CN2 |
|---|
| InChI Key | QOHFTZBONWREKK-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 | acyl glycines |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | alpha amino acidsamino acidsazacyclic compoundsbenzoyl derivativescarbonyl compoundscarboxylic acidsheteroaromatic compoundshippuric acids and derivativeshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenylalkylaminespyrimidonessecondary alkylarylaminessecondary carboxylic acid amidesureasvinylogous amides |
|---|
| Substituents | monocyclic benzene moietycarbonyl grouplactamcarboxylic acidamino acidbenzoylpyrimidonebenzamidepyrimidineureaorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundvinylogous amidecarbonic acid derivativeazacyclehippuric acid or derivativesheteroaromatic compoundbenzoic acid or derivativessecondary aminecarboxamide groupn-acylglycinesecondary aliphatic/aromatic aminesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundphenylalkylaminehydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
|---|
