DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:55:01 UTC
Update Date	2025-03-21 18:04:26 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00050562
Frequency	64.9
Structure
Chemical Formula	C₁₆H₂₁N₃O₆
Molecular Mass	351.143
SMILES	NCC(=O)NC(Cc1ccccc1)C(=O)NC(CCC(=O)O)C(=O)O
InChI Key	WZSHYFGOLPXPLL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
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 dicarboxylic acids and derivatives fatty amides glutamic acid and derivatives hydrocarbon derivatives monoalkylamines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds peptides phenylalanine and derivatives secondary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid fatty amide alpha-amino acid or derivatives carboxylic acid derivative alpha peptide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives polypeptide alpha-amino acid amide n-acyl-alpha-amino acid glutamic acid or derivatives carboxamide group n-substituted-alpha-amino acid aromatic homomonocyclic compound secondary carboxylic acid amide phenylalanine or derivatives organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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