| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:57:40 UTC |
|---|
| Update Date | 2025-03-21 18:05:22 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00056607 |
|---|
| Frequency | 56.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H13N5O5 |
|---|
| Molecular Mass | 271.0917 |
|---|
| SMILES | Cn1c(N)c(NC(=O)CC(N)C(=O)O)c(=O)[nH]c1=O |
|---|
| InChI Key | YBZNQHCDEBFCHF-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 | asparagine and derivatives |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | alpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsfatty amidesheteroaromatic compoundshydrocarbon derivativeslactamsmonoalkylaminesmonocarboxylic acids and derivativesn-arylamidesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundspyrimidonessecondary carboxylic acid amidesvinylogous amides |
|---|
| Substituents | fatty acylcarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundamino acidfatty amidepyrimidonen-arylamidepyrimidineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundasparagine or derivativesorganoheterocyclic compoundvinylogous amidecarbonic acid derivativeazacycleheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineprimary amineorganic nitrogen compoundamineorganooxygen compound |
|---|
