| Record Information |
|---|
| HMDB Status | expected |
|---|
| Creation Date | 2024-02-20 23:35:45 UTC |
|---|
| Update Date | 2025-03-21 17:57:05 UTC |
|---|
| HMDB ID | HMDB0028778 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00005592 |
|---|
| Name | Cysteinyl-Isoleucine |
|---|
| Frequency | 972.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H18N2O3S |
|---|
| Molecular Mass | 234.1038 |
|---|
| SMILES | CCC(C)C(NC(=O)C(N)CS)C(=O)O |
|---|
| InChI Key | VBIIZCXWOZDIHS-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 acyclic compounds |
|---|
| Alternative Parents | alkylthiolsalpha amino acid amidesalpha amino acidscarbonyl compoundscarboxylic acidscysteine and derivativeshydrocarbon derivativesisoleucine and derivativesmethyl-branched fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundssecondary carboxylic acid amides |
|---|
| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty acidalpha-amino acid or derivativesorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundisoleucine or derivativesn-acyl-alpha amino acid or derivativesmethyl-branched fatty acidalpha-amino acid amiden-acyl-alpha-amino acidcarboxamide groupbranched fatty acidalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundcysteine or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundalkylthiolorganooxygen compound |
|---|
