| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:43:12 UTC |
|---|
| Update Date | 2025-03-21 17:59:40 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00022463 |
|---|
| Frequency | 176.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H16N2O9 |
|---|
| Molecular Mass | 356.0856 |
|---|
| SMILES | O=C(CNC(=O)c1cccnc1)OC1OC(C(=O)O)C(O)C(O)C1O |
|---|
| InChI Key | MKWRDVCJKHSRFG-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 heteromonocyclic compounds |
|---|
| Alternative Parents | acetalsalpha amino acidsalpha-amino acyl ester of carbohydratesazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonosaccharidesnicotinamideso-glucuronidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidspyridinecarboxylic acids and derivativessecondary alcoholssecondary carboxylic acid amides |
|---|
| Substituents | pyridine carboxylic acid or derivativescarbonyl groupcarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compoundnicotinamideo-glucuronidemonosaccharidepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesalpha-amino acid esterazacycleheteroaromatic compoundhydroxypyridinehydroxy acidcarboxamide groupn-acylglycineoxacyclesecondary carboxylic acid amidepyridineorganic oxygen compoundpyrancarboxylic acid esteralpha-amino acyl ester of carbohydratesecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
