DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:16:03 UTC
Update Date	2025-03-25 00:59:34 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02237951
Frequency	0.5
Structure
Chemical Formula	C₁₈H₂₂N₂O₉
Molecular Mass	410.1325
SMILES	O=C(O)CCC(NC(=O)C(Cc1ccccc1)NC(CC(=O)O)C(=O)O)C(=O)O
InChI Key	DPJFFIZGMJOSCB-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 aspartic acid and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids dialkylamines fatty amides glutamic acid and derivatives hydrocarbon derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds phenylalanine and derivatives secondary carboxylic acid amides tetracarboxylic acids and derivatives
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid amino acid or derivatives amino acid fatty amide alpha-amino acid or derivatives organic oxide 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 tetracarboxylic acid or derivatives glutamic acid or derivatives secondary amine carboxamide group n-substituted-alpha-amino acid aromatic homomonocyclic compound alpha-dipeptide secondary carboxylic acid amide phenylalanine or derivatives organic oxygen compound aspartic acid or derivatives hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound amine

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