DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:56:36 UTC
Update Date	2025-03-21 18:05:00 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00054132
Frequency	59.5
Structure
Chemical Formula	C₁₂H₁₆N₂O₆
Molecular Mass	284.1008
SMILES	NC(CCC(=O)NC(Cc1ccco1)C(=O)O)C(=O)O
InChI Key	ZAQHDRRBKAKRPM-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 heteromonocyclic compounds
Alternative Parents	alpha amino acids carbonyl compounds carboxylic acids dicarboxylic acids and derivatives furans glutamine and derivatives heteroaromatic compounds hydrocarbon derivatives monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds secondary carboxylic acid amides
Substituents	fatty acyl furan carbonyl group carboxylic acid glutamine or derivatives aromatic heteromonocyclic compound fatty amide alpha-amino acid or derivatives organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound n-acyl-alpha amino acid or derivatives n-acyl-alpha-amino acid heteroaromatic compound carboxamide group n-acyl-amine alpha-dipeptide oxacycle secondary carboxylic acid amide organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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