DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:17:04 UTC
Update Date	2025-03-25 00:59:57 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02240245
Frequency	0.5
Structure
Chemical Formula	C₁₉H₂₅N₃O₈
Molecular Mass	423.1642
SMILES	NC(CCC(=O)NC(=O)CCC(NC(Cc1ccccc1)C(=O)O)C(=O)O)C(=O)O
InChI Key	BJHGRXVFEMJBQR-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 acids amino acids amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids dialkylamines dicarboximides glutamine and derivatives hydrocarbon derivatives monoalkylamines n-acyl amines n-unsubstituted carboxylic acid imides organic oxides organopnictogen compounds phenylpropanoic acids tricarboxylic acids and derivatives
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid glutamine or derivatives 3-phenylpropanoic-acid amino acid tricarboxylic acid or derivatives carboxylic acid imide, n-unsubstituted organic oxide organonitrogen compound alpha-amino acid organopnictogen compound dicarboximide amphetamine or derivatives secondary aliphatic amine secondary amine n-acyl-amine carboxylic acid imide aromatic homomonocyclic compound phenylalanine or derivatives organic oxygen compound hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound amine

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