DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:17:04 UTC
Update Date	2025-03-21 18:34:57 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00103170
Frequency	46.6
Structure
Chemical Formula	C₁₇H₂₇N₅O₃
Molecular Mass	349.2114
SMILES	CN(C)C(N)=NCCCC(N)C(=O)NC(Cc1ccccc1)C(=O)O
InChI Key	BMVFMLAWUVCAHW-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	alpha amino acid amides alpha amino acids amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboximidamides carboxylic acids guanidines hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids propargyl-type 1,3-dipolar organic compounds secondary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid guanidine fatty amide alpha-amino acid or derivatives propargyl-type 1,3-dipolar organic compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives alpha-amino acid amide n-acyl-alpha-amino acid organic 1,3-dipolar compound carboximidamide carboxamide group n-acyl-amine aromatic homomonocyclic compound alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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