DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:09:27 UTC
Update Date	2025-03-25 00:57:11 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02223242
Frequency	0.5
Structure
Chemical Formula	C₁₄H₂₀N₄O₄
Molecular Mass	308.1485
SMILES	NCCC(NC(=O)C(N)CC(=O)c1ccccc1N)C(=O)O
InChI Key	YHJPKSIPZXFOMJ-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	aromatic homomonocyclic compounds
Alternative Parents	alkyl-phenylketones alpha amino acid amides alpha amino acids amino acids aryl alkyl ketones benzoyl derivatives butyrophenones carboxylic acids hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organopnictogen compounds secondary carboxylic acid amides vinylogous amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid aryl alkyl ketone amino acid or derivatives amino acid fatty amide benzoyl alpha-amino acid or derivatives ketone organic oxide organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives vinylogous amide alpha-amino acid amide n-acyl-alpha-amino acid carboxamide group n-acyl-amine phenylketone butyrophenone aromatic homomonocyclic compound alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative benzenoid primary aliphatic amine primary amine organic nitrogen compound amine alkyl-phenylketone organooxygen compound aryl ketone

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