DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:06:18 UTC
Update Date	2025-03-21 18:29:25 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00077273
Frequency	53.8
Structure
Chemical Formula	C₁₂H₁₅IN₂O₄
Molecular Mass	378.0077
SMILES	CC(NC(=O)C(N)Cc1ccc(O)c(I)c1)C(=O)O
InChI Key	FNSSZFXTKJOKBJ-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	1-hydroxy-2-unsubstituted benzenoids alanine and derivatives alpha amino acid amides alpha amino acids amphetamines and derivatives aryl iodides carbonyl compounds carboxylic acids fatty amides 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 secondary carboxylic acid amides tyrosine and derivatives
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid fatty amide 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives 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 alpha-amino acid amide n-acyl-alpha-amino acid 2-iodophenol carboxamide group aryl halide aromatic homomonocyclic compound alpha-dipeptide 2-halophenol secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound alanine or derivatives phenol hydrocarbon derivative benzenoid primary aliphatic amine aryl iodide organic nitrogen compound halobenzene organooxygen compound

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