| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:41:59 UTC |
|---|
| Update Date | 2025-03-25 00:47:12 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02160151 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H13N5O3 |
|---|
| Molecular Mass | 251.1018 |
|---|
| SMILES | Nc1cnc2c(C(O)CC(N)C(=O)O)c[nH]c2n1 |
|---|
| InChI Key | OIGCHEKNMZCGOX-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 heteropolycyclic compounds |
|---|
| Alternative Parents | amino acidsaromatic alcoholsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidolactamsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspyrazinespyrrolespyrrolopyrazinessecondary alcohols |
|---|
| Substituents | aromatic alcoholcarbonyl groupcarboxylic acidamino acidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidolactampyrrolopyrazineorganoheterocyclic compoundalcoholazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundpyrazinepyrrolesecondary alcoholhydrocarbon derivativeprimary aliphatic amineprimary amineorganic nitrogen compoundamineorganooxygen compound |
|---|
