DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:59:09 UTC
Update Date	2025-03-25 00:53:22 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02199297
Frequency	0.5
Structure
Chemical Formula	C₁₄H₂₂N₄O₃
Molecular Mass	294.1692
SMILES	NC(=O)CCC(N)CNC(=O)C(N)Cc1ccc(O)cc1
InChI Key	QKUORBJADOOPKB-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	tyrosine and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acid amides alpha amino acids amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids and derivatives fatty amides gamma amino acids and derivatives hydrocarbon derivatives monoalkylamines organic oxides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives primary carboxylic acid amides secondary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl monocyclic benzene moiety carbonyl group gamma amino acid or derivatives fatty amide 1-hydroxy-2-unsubstituted benzenoid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives tyrosine or derivatives alpha-amino acid amide carboxamide group aromatic homomonocyclic compound secondary carboxylic acid amide phenylalanine or derivatives organic oxygen compound phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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