| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:02:10 UTC |
|---|
| Update Date | 2025-03-21 18:07:07 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00067327 |
|---|
| Frequency | 77.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H13N3O4 |
|---|
| Molecular Mass | 203.0906 |
|---|
| SMILES | N=C(N)NCCCC(=O)C(O)C(=O)O |
|---|
| InChI Key | WTOJTXVSHUXMMF-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | keto acids and derivatives |
|---|
| Subclass | medium-chain keto acids and derivatives |
|---|
| Direct Parent | medium-chain keto acids and derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | 1,3-dicarbonyl compoundsacyloinsalpha hydroxy acids and derivativesalpha-hydroxy ketonesamino fatty acidsbeta-hydroxy ketonesbeta-keto acids and derivativescarboximidamidescarboxylic acidsfatty acylsguanidineshydrocarbon derivativeshydroxy fatty acidsiminesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundssecondary alcohols |
|---|
| Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidguanidineiminealpha-hydroxy acidmonosaccharidealpha-hydroxy ketonecarboxylic acid derivativebeta-keto acidketonesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundhydroxy fatty acidalcoholcarboximidamidehydroxy acidamino fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundacyloinsecondary alcoholhydrocarbon derivativeorganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compoundmedium-chain keto acid |
|---|
