| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:38:22 UTC |
|---|
| Update Date | 2025-03-25 00:45:54 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02151985 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H13N5O4 |
|---|
| Molecular Mass | 267.0968 |
|---|
| SMILES | NC(=O)c1cnc(N)c(C(=O)CC(N)C(=O)O)c1N |
|---|
| InChI Key | ATIIVDHUHRMMGN-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 | 2-halopyridinesamino acidsaryl alkyl ketonesazacyclic compoundscarboxylic acidsgamma-keto acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesimidolactamsmonoalkylaminesmonocarboxylic acids and derivativesnicotinamidesorganic oxidesorganopnictogen compoundspolyhalopyridinesprimary carboxylic acid amidespyridinecarboxylic acids and derivativesvinylogous amides |
|---|
| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativescarbonyl groupcarboxylic acidaryl alkyl ketonearomatic heteromonocyclic compoundamino acidpolyhalopyridinenicotinamideketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound2-halopyridineimidolactamorganoheterocyclic compoundvinylogous amideazacycleheteroaromatic compoundhydroxypyridinecarboxamide groupgamma-keto acidmonocarboxylic acid or derivativespyridineorganic oxygen compoundketo acidhydrocarbon derivativeprimary aliphatic amineprimary amineorganic nitrogen compoundamineorganooxygen compoundaryl ketone |
|---|
