DeepMet

Record Information
HMDB Status	expected
Creation Date	2024-02-20 23:34:05 UTC
Update Date	2025-03-21 17:56:29 UTC
HMDB ID	HMDB0304385
Metabolite Identification
DeepMet ID	DMID00001663
Name	indole-3-acetyl-phenylalanine
Frequency	3622.6
Structure
Chemical Formula	C₁₉H₁₈N₂O₃
Molecular Mass	322.1317
SMILES	O=C(Cc1c[nH]c2ccccc12)NC(Cc1ccccc1)C(=O)O
InChI Key	BUGQHORRADGONS-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	phenylalanine and derivatives
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	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 phenylpropanoic acids pyrroles secondary carboxylic acid amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid indole organic oxide aromatic heteropolycyclic compound organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound amphetamine or derivatives n-acyl-alpha amino acid 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 hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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