DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:07:59 UTC
Update Date	2025-03-25 00:56:39 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02219806
Frequency	0.5
Structure
Chemical Formula	C₁₉H₃₀N₅O₂+
Molecular Mass	360.2394
SMILES	C[N+](C)(C)CC(Cc1c[nH]c2ccccc12)NC(=O)C(N)CCC(N)=O
InChI Key	UKHRJNUEECHDDU-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	glutamine 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 primary carboxylic acid amides pyrroles secondary carboxylic acid amides tetraalkylammonium salts
Substituents	primary carboxylic acid amide fatty acyl carbonyl group glutamine or derivatives indole fatty amide organic oxide aromatic heteropolycyclic compound 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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