DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:17:07 UTC
Update Date	2025-03-25 00:59:58 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02240363
Frequency	0.5
Structure
Chemical Formula	C₂₀H₁₉I₂N₃O₄
Molecular Mass	618.9465
SMILES	NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1cc(I)c(O)c(I)c1)C(=O)O
InChI Key	MNGHLMRAYYVBDD-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 heteropolycyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amphetamines and derivatives aryl iodides azacyclic compounds carbonyl compounds carboxylic acids fatty amides halophenols heteroaromatic compounds hydrocarbon derivatives indoles iodobenzenes monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids o-iodophenols organic oxides organoiodides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids pyrroles secondary carboxylic acid amides tyrosine and derivatives
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid indole fatty amide alpha-amino acid or derivatives organohalogen compound iodobenzene organoiodide organic oxide aromatic heteropolycyclic compound organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives tyrosine or derivatives alpha-amino acid amide azacycle n-acyl-alpha-amino acid heteroaromatic compound 2-iodophenol indole or derivatives carboxamide group aryl halide alpha-dipeptide 2-halophenol secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound pyrrole phenol hydrocarbon derivative benzenoid primary aliphatic amine aryl iodide organic nitrogen compound halobenzene organooxygen compound

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