| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:19:26 UTC |
|---|
| Update Date | 2025-03-21 18:36:07 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00108998 |
|---|
| Frequency | 24.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C18H21N7O5 |
|---|
| Molecular Mass | 415.1604 |
|---|
| SMILES | Nc1nc(=O)c2c([nH]1)NCC(CNc1ccc(C(=O)CC(N)C(=O)O)cc1)N2C=O |
|---|
| InChI Key | KKFLCCBBZFOFFL-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | alkyl-phenylketones |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | alpha amino acidsamino acidsaryl alkyl ketonesazacyclic compoundsbenzoyl derivativesbutyrophenonescarboxylic acidsgamma-keto acids and derivativesheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenylalkylaminespterins and derivativespyrimidonessecondary alkylarylaminestertiary carboxylic acid amidesvinylogous amides |
|---|
| Substituents | monocyclic benzene moietycarboxylic acidaryl alkyl ketoneamino acid or derivativesamino acidbenzoylpyrimidonealpha-amino acid or derivativescarboxylic acid derivativepyrimidineorganic oxidearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundvinylogous amidepterinazacycleheteroaromatic compoundsecondary aminecarboxamide groupsecondary aliphatic/aromatic aminegamma-keto acidbutyrophenonemonocarboxylic acid or derivativesketo acidphenylalkylaminehydrocarbon derivativebenzenoidprimary aliphatic amineprimary amineorganic nitrogen compoundaminealkyl-phenylketone |
|---|
