DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:18:28 UTC
Update Date	2025-03-21 18:35:39 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00106603
Frequency	25.3
Structure
Chemical Formula	C₁₄H₁₈N₂O₅
Molecular Mass	294.1216
SMILES	NCCCC(=O)NC(OC(=O)Cc1ccccc1)C(=O)O
InChI Key	XYQCMSXPSHVROJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	peptidomimetics
Subclass	hybrid peptides
Direct Parent	hybrid peptides
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alpha amino acids benzene and substituted derivatives carbonyl compounds carboxylic acid esters carboxylic acids dicarboxylic acids and derivatives gamma amino acids and derivatives hydrocarbon derivatives monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid gamma amino acid or derivatives fatty amide alpha-amino acid or derivatives carboxylic acid derivative organic oxide organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives n-acyl-alpha-amino acid carboxamide group n-acyl-amine aromatic homomonocyclic compound secondary carboxylic acid amide organic oxygen compound carboxylic acid ester dicarboxylic acid or derivatives hybrid peptide hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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