DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:16:27 UTC
Update Date	2025-03-25 00:59:43 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02238833
Frequency	0.5
Structure
Chemical Formula	C₁₃H₁₅IN₂O₅
Molecular Mass	406.0026
SMILES	NC(=O)CCC(=O)NC(Cc1ccc(O)c(I)c1)C(=O)O
InChI Key	MIRIZKUNCQVXHO-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 acids amphetamines and derivatives aryl iodides carbonyl compounds carboxylic acids halophenols hydrocarbon derivatives iodobenzenes monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids o-iodophenols organic oxides organoiodides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids primary carboxylic acid amides secondary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid fatty amide 1-hydroxy-2-unsubstituted benzenoid organohalogen compound iodobenzene organoiodide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives tyrosine or derivatives n-acyl-alpha-amino acid 2-iodophenol carboxamide group n-acyl-amine aryl halide aromatic homomonocyclic compound 2-halophenol secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound phenol hydrocarbon derivative benzenoid aryl iodide organic nitrogen compound halobenzene organooxygen compound

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