DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:45:48 UTC
Update Date	2025-03-25 00:48:33 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02168841
Frequency	0.5
Structure
Chemical Formula	C₂₀H₂₈N₂O₇
Molecular Mass	408.1897
SMILES	CC(C)CC(NC(Cc1ccccc1)C(=O)O)C(=O)NC(CCC(=O)O)C(=O)O
InChI Key	XTVGBESPSAUIBW-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 amino acids amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids dialkylamines glutamic acid and derivatives hydrocarbon derivatives leucine and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids secondary carboxylic acid amides tricarboxylic acids and derivatives
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid amino acid or derivatives amino acid fatty amide tricarboxylic acid or derivatives alpha-amino acid or derivatives organic oxide leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives secondary aliphatic amine alpha-amino acid amide n-acyl-alpha-amino acid glutamic acid or derivatives secondary amine carboxamide group n-acyl-amine n-substituted-alpha-amino acid aromatic homomonocyclic compound alpha-dipeptide secondary carboxylic acid amide phenylalanine or derivatives organic oxygen compound hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound amine

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