DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:09:20 UTC
Update Date	2025-03-25 00:57:09 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02222975
Frequency	0.5
Structure
Chemical Formula	C₁₅H₂₂N₂O₃
Molecular Mass	278.163
SMILES	NC(CCCc1ccccc1)CCC(=O)NCC(=O)O
InChI Key	ARDQNVHVNWRXRI-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	acyl glycines alpha amino acids carbonyl compounds carboxylic acids gamma amino acids and derivatives hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds phenylbutylamines 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 phenylbutylamine organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives n-acyl-alpha-amino acid carboxamide group n-acyl-amine n-acylglycine aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hybrid peptide hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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