DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:12:21 UTC
Update Date	2025-03-21 18:32:35 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00091613
Frequency	30.6
Structure
Chemical Formula	C₁₂H₁₅IN₂O₄
Molecular Mass	378.0077
SMILES	NCCC(=O)NC(Cc1ccc(O)c(I)c1)C(=O)O
InChI Key	HGTIMRBNIOVHLX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	peptidomimetics
Subclass	hybrid peptides
Direct Parent	hybrid peptides
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acids amphetamines and derivatives aryl iodides beta amino acids and derivatives carbonyl compounds carboxylic acids halophenols hydrocarbon derivatives 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 secondary carboxylic acid amides tyrosine and derivatives
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives carboxylic acid derivative 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 beta amino acid or derivatives aryl halide aromatic homomonocyclic compound 2-halophenol secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound hybrid peptide phenol hydrocarbon derivative benzenoid primary aliphatic amine aryl iodide organic nitrogen compound halobenzene organooxygen compound

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