DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:45:55 UTC
Update Date	2025-03-25 00:48:36 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02169114
Frequency	0.5
Structure
Chemical Formula	C₂₀H₃₃N₄O+
Molecular Mass	345.2649
SMILES	CC(C)CC(N)C(=O)NC(Cc1c[nH]c2ccccc12)C[N+](C)(C)C
InChI Key	HPVBLWFJFASQTA-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	leucine and derivatives
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amines azacyclic compounds benzenoids carbonyl compounds carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives indoles monoalkylamines n-acyl amines organic cations organic oxides organic salts organopnictogen compounds pyrroles secondary carboxylic acid amides tetraalkylammonium salts
Substituents	fatty acyl carbonyl group indole fatty amide organic oxide aromatic heteropolycyclic compound leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound organic cation organic salt organoheterocyclic compound alpha-amino acid amide tetraalkylammonium salt azacycle quaternary ammonium salt heteroaromatic compound indole or derivatives carboxamide group n-acyl-amine secondary carboxylic acid amide organic oxygen compound pyrrole hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound amine organooxygen compound

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