| Record Information |
|---|
| HMDB Status | expected |
|---|
| Creation Date | 2024-02-21 00:25:30 UTC |
|---|
| Update Date | 2025-03-21 18:38:59 UTC |
|---|
| HMDB ID | HMDB0028866 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00123498 |
|---|
| Name | Hydroxyprolyl-Isoleucine |
|---|
| Frequency | 20.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H20N2O4 |
|---|
| Molecular Mass | 244.1423 |
|---|
| SMILES | CCC(C)C(NC(=O)C1CC(O)CN1)C(=O)O |
|---|
| InChI Key | JKCPTRCNCMWJJG-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 | dipeptides |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | alpha amino acid amidesalpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsisoleucine and derivativesmethyl-branched fatty acidsmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundsproline and derivativespyrrolidinecarboxamidessecondary alcoholssecondary carboxylic acid amidesshort-chain hydroxy acids and derivatives |
|---|
| Substituents | fatty acylcarbonyl groupcarboxylic acidshort-chain hydroxy acidamino acid or derivativesamino acidheterocyclic fatty acidfatty acidalpha-amino acid or derivativesorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidpyrrolidineisoleucine or derivativesorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesproline or derivativesalcoholsecondary aliphatic aminemethyl-branched fatty acidalpha-amino acid amideazacyclen-acyl-alpha-amino acidsecondary aminecarboxamide groupbranched fatty acidalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundpyrrolidine-2-carboxamideorganooxygen compoundamine |
|---|
