DeepMet

Record Information
HMDB Status	expected
Creation Date	2024-02-20 23:34:57 UTC
Update Date	2025-03-21 17:56:48 UTC
HMDB ID	HMDB0011167
Metabolite Identification
DeepMet ID	DMID00003739
Name	L-beta-aspartyl-L-phenylalanine
Frequency	1637.7
Structure
Chemical Formula	C₁₃H₁₆N₂O₅
Molecular Mass	280.1059
SMILES	NC(CC(=O)NC(Cc1ccccc1)C(=O)O)C(=O)O
InChI Key	KDGAYJIGGCDHPH-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	alpha amino acids amphetamines and derivatives asparagine and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives hydrocarbon derivatives monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids secondary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid fatty amide alpha-amino acid or derivatives carboxylic acid derivative organic oxide organonitrogen compound alpha-amino acid organopnictogen compound asparagine or derivatives amphetamine or derivatives n-acyl-alpha amino acid or derivatives n-acyl-alpha-amino acid carboxamide group n-acyl-amine aromatic homomonocyclic compound secondary carboxylic acid amide phenylalanine or derivatives organic oxygen compound dicarboxylic acid or derivatives hybrid peptide hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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