DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:09:23 UTC
Update Date	2025-03-25 00:57:10 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02223083
Frequency	0.5
Structure
Chemical Formula	C₁₄H₁₇N₃O₆
Molecular Mass	323.1117
SMILES	NC(CCC(=O)NCC(=O)Nc1ccc(C(=O)O)cc1)C(=O)O
InChI Key	GBDPXPLWRNYYKQ-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	acylaminobenzoic acid and derivatives alpha amino acid amides alpha amino acids anilides benzoic acids benzoyl derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives glutamine and derivatives hydrocarbon derivatives monoalkylamines n-acyl amines n-acyl-alpha amino acids n-arylamides organic oxides organopnictogen compounds secondary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid glutamine or derivatives fatty amide benzoyl n-arylamide alpha-amino acid or derivatives organic oxide organonitrogen compound alpha-amino acid organopnictogen compound benzoic acid n-acyl-alpha amino acid or derivatives acylaminobenzoic acid or derivatives alpha-amino acid amide n-acyl-alpha-amino acid benzoic acid or derivatives carboxamide group n-acyl-amine n-substituted-alpha-amino acid aromatic homomonocyclic compound alpha-dipeptide anilide secondary carboxylic acid amide organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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