DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:10:10 UTC
Update Date	2025-03-25 00:57:27 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02224821
Frequency	0.5
Structure
Chemical Formula	C₁₂H₂₁N₃O₄
Molecular Mass	271.1532
SMILES	NCCCC(=O)NCCC(=O)N1CCCC1C(=O)O
InChI Key	CTGSIFNUDBZIJV-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 acids azacyclic compounds beta amino acids and derivatives carbonyl compounds carboxylic acids gamma amino acids and derivatives hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organonitrogen compounds organopnictogen compounds proline and derivatives pyrrolidine carboxylic acids secondary carboxylic acid amides tertiary carboxylic acid amides
Substituents	fatty acyl carbonyl group carboxylic acid gamma amino acid or derivatives fatty amide n-acylpyrrolidine alpha-amino acid or derivatives carboxylic acid derivative organic oxide pyrrolidine carboxylic acid tertiary carboxylic acid amide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives azacycle n-acyl-alpha-amino acid carboxamide group n-acyl-amine beta amino acid or derivatives secondary carboxylic acid amide monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound hybrid peptide hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

Showing information for DMID02224821