| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:56:51 UTC |
|---|
| Update Date | 2025-03-25 00:52:28 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02194012 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C19H24N8O5 |
|---|
| Molecular Mass | 444.187 |
|---|
| SMILES | CN1c2c(nc(N)[nH]c2=O)NCC1CNc1ccc(C(=N)NC(CC(=O)O)C(=O)O)cc1 |
|---|
| InChI Key | YJEZJNSGZBCTNE-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 | aspartic acid and derivatives |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | alpha amino acidsamidinesamino acidsazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboximidamidescarboxylic acidsdialkylarylaminesdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidolactamslactamsorganic oxidesorganopnictogen compoundsphenylalkylaminesprimary aminespterins and derivativespyrimidonessecondary alkylarylaminesvinylogous amides |
|---|
| Substituents | monocyclic benzene moietycarbonyl grouplactamcarboxylic acidamino acidpyrimidoneamidinepyrimidineorganic oxidearomatic heteropolycyclic compoundtertiary aliphatic/aromatic amineorganonitrogen compoundalpha-amino acidorganopnictogen compounddialkylarylamineimidolactamtertiary amineorganoheterocyclic compoundvinylogous amidepterinazacycleheteroaromatic compoundcarboximidamidesecondary aminesecondary aliphatic/aromatic amineorganic oxygen compoundaspartic acid or derivativesdicarboxylic acid or derivativesphenylalkylaminehydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundamineorganooxygen compound |
|---|
