DeepMet

Record Information
HMDB Status	expected
Creation Date	2024-02-20 23:35:20 UTC
Update Date	2025-03-21 17:56:56 UTC
HMDB ID	HMDB0304388
Metabolite Identification
DeepMet ID	DMID00004644
Name	indole-3-acetyl-tyrosine
Frequency	1201.7
Structure
Chemical Formula	C₁₉H₁₈N₂O₄
Molecular Mass	338.1267
SMILES	O=C(Cc1c[nH]c2ccccc12)NC(Cc1ccc(O)cc1)C(=O)O
InChI Key	HLBLLQMXYYYBLN-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 heteropolycyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives indoles monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids pyrroles secondary carboxylic acid amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid indole 1-hydroxy-2-unsubstituted benzenoid 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 azacycle n-acyl-alpha-amino acid heteroaromatic compound indole or derivatives carboxamide group secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound pyrrole phenol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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