DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:01:56 UTC
Update Date	2025-03-25 00:54:21 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02205663
Frequency	0.5
Structure
Chemical Formula	C₁₈H₂₇N₃O₄
Molecular Mass	349.2002
SMILES	NCCCCC(=O)C(Cc1ccccc1)NC(=O)C(N)CCC(=O)O
InChI Key	VSIWFTIVVFIBEK-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	glutamic acid and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amphetamines and derivatives benzene and substituted derivatives carboxylic acids hydrocarbon derivatives ketones 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 fatty amide ketone organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives alpha-amino acid amide glutamic acid or derivatives 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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