DeepMet

Record Information
HMDB Status	detected
Creation Date	2024-02-20 23:33:25 UTC
Update Date	2025-03-21 17:56:05 UTC
HMDB ID	HMDB0028998
Metabolite Identification
DeepMet ID	DMID00000058
Name	Phenylalanylisoleucine
Frequency	30276.0
Structure
Chemical Formula	C₁₅H₂₂N₂O₃
Molecular Mass	278.163
SMILES	CCC(C)C(NC(=O)C(N)Cc1ccccc1)C(=O)O
InChI Key	JWBLQDDHSDGEGR-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	alpha amino acid amides alpha amino acids amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids fatty amides hydrocarbon derivatives isoleucine and derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives secondary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid fatty amide alpha-amino acid or derivatives organic oxide organonitrogen compound alpha-amino acid organopnictogen compound isoleucine or derivatives amphetamine or derivatives n-acyl-alpha amino acid or derivatives alpha-amino acid amide n-acyl-alpha-amino acid carboxamide group aromatic homomonocyclic compound alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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