| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:43:22 UTC |
|---|
| Update Date | 2025-03-25 00:47:40 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02163272 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H16N4O8 |
|---|
| Molecular Mass | 392.0968 |
|---|
| SMILES | O=C(O)C1=CC(=CC=NC(Cc2cc(=O)[nH]c(=O)[nH]2)C(=O)O)CC(C(=O)O)N1 |
|---|
| InChI Key | PGZHUWJLTUKJIO-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 | alpha amino acids |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | aldiminesamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesheteroaromatic compoundshydrocarbon derivativeslactamsorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrimidonestetrahydropyridinestricarboxylic acids and derivativesvinylogous amides |
|---|
| Substituents | carbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundamino acidiminepyrimidonetricarboxylic acid or derivativespyrimidinepropargyl-type 1,3-dipolar organic compoundaldimineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundvinylogous amidesecondary aliphatic aminecarbonic acid derivativeazacycleheteroaromatic compoundtetrahydropyridineorganic 1,3-dipolar compoundsecondary amineorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
|---|
