DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:16:39 UTC
Update Date	2025-03-21 18:34:43 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00102107
Frequency	26.7
Structure
Chemical Formula	C₁₄H₂₀N₂O₃
Molecular Mass	264.1474
SMILES	NCCCC(=O)NC(CCc1ccccc1)C(=O)O
InChI Key	QXZJXLLANSBWRB-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	n-acyl-alpha amino acids
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alpha amino acids benzene and substituted derivatives 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 secondary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid gamma amino acid or derivatives fatty amide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha-amino acid carboxamide group n-acyl-amine aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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