DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:35:15 UTC
Update Date	2025-03-21 17:56:55 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00004455
Frequency	1270.3
Structure
Chemical Formula	C₉H₁₃N₃O₅
Molecular Mass	243.0855
SMILES	NC(=O)CC(NC(=O)C1CCC(=O)N1)C(=O)O
InChI Key	BQZCHHUDWADDJM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	peptidomimetics
Subclass	hybrid peptides
Direct Parent	hybrid peptides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids asparagine and derivatives azacyclic compounds carbonyl compounds carboxylic acids dipeptides fatty amides heterocyclic fatty acids hydrocarbon derivatives lactams monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds primary carboxylic acid amides proline and derivatives pyrrolidine-2-ones pyrrolidinecarboxamides secondary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl 2-pyrrolidone carbonyl group lactam carboxylic acid heterocyclic fatty acid fatty amide fatty acid alpha-amino acid or derivatives carboxylic acid derivative organic oxide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound asparagine or derivatives pyrrolidine pyrrolidone organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives alpha-amino acid amide azacycle n-acyl-alpha-amino acid carboxamide group alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound hybrid peptide hydrocarbon derivative organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound

Showing information for DMID00004455