DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:53 UTC
Update Date	2025-03-25 00:46:05 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02153200
Frequency	0.5
Structure
Chemical Formula	C₁₆H₂₁N₃O₆
Molecular Mass	351.143
SMILES	NC(=O)CCC(NCC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)O
InChI Key	KBAWYBMZUOQKCM-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 dicarboxylic acids and derivatives glutamine and derivatives hydrocarbon derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids primary carboxylic acid amides secondary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid glutamine or derivatives 3-phenylpropanoic-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 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 dicarboxylic acid or derivatives hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound amine

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