| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:04:25 UTC |
|---|
| Update Date | 2025-03-25 00:55:18 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02211552 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H21N7O7 |
|---|
| Molecular Mass | 399.1502 |
|---|
| SMILES | CC(=O)Nc1nc(NCCCC(N)C(=O)O)nc(NC(CC(=O)O)C(=O)O)n1 |
|---|
| InChI Key | HSGYPPAQYFIORY-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 | aspartic acid and derivatives |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | acetamidesalpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidshalo-s-triazinesheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesn-acetylarylaminesn-aliphatic s-triazinesorganic oxidesorganopnictogen compoundssecondary alkylarylaminessecondary carboxylic acid amidestricarboxylic acids and derivatives |
|---|
| Substituents | n-aliphatic s-triazinecarbonyl groupamino-1,3,5-triazinecarboxylic acidn-acetylarylaminearomatic heteromonocyclic compoundamino acidn-arylamidetricarboxylic acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundacetamideazacycleaminotriazineheteroaromatic compoundsecondary aminecarboxamide groupsecondary aliphatic/aromatic aminesecondary carboxylic acid amideorganic oxygen compoundhalo-s-triazineaspartic acid or derivativestriazinehydrocarbon derivative1,3,5-triazineprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
|---|
