DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:52:39 UTC
Update Date	2025-03-25 00:51:03 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02184513
Frequency	0.5
Structure
Chemical Formula	C₂₁H₂₈N₂O₅
Molecular Mass	388.1998
SMILES	NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(O)C(O)C(O)CO
InChI Key	GVBDHCDPEUCIHQ-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 homomonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids and derivatives fatty amides hydrocarbon derivatives monoalkylamines monosaccharides organic oxides organonitrogen compounds organopnictogen compounds primary alcohols secondary alcohols secondary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group fatty amide monosaccharide saccharide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound primary alcohol amphetamine or derivatives alcohol alpha-amino acid amide carboxamide group aromatic homomonocyclic compound secondary carboxylic acid amide phenylalanine or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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