| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:20:06 UTC |
|---|
| Update Date | 2025-03-21 18:36:25 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00110571 |
|---|
| Frequency | 24.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H22N4O9 |
|---|
| Molecular Mass | 378.1387 |
|---|
| SMILES | CC(=O)NC1C(NC(=N)NC(CC(=O)O)C(=O)O)OC(CO)C(O)C1O |
|---|
| InChI Key | FAGVZWNEQKAPNP-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 | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | acetamidesalpha amino acidscarbonyl compoundscarboximidamidescarboxylic acidsdicarboxylic acids and derivativesguanidinesheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsiminesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholssecondary alcoholssecondary carboxylic acid amidesshort-chain hydroxy acids and derivatives |
|---|
| Substituents | fatty acylcarbonyl groupcarboxylic acidshort-chain hydroxy acidheterocyclic fatty acidguanidineiminemonosaccharidefatty acidsaccharideorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidoxaneprimary alcoholorganoheterocyclic compoundacetamidealcoholcarboximidamidecarboxamide groupoxacyclesecondary carboxylic acid amideorganic oxygen compoundaspartic acid or derivativessecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
