DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:14:42 UTC
Update Date	2025-03-21 18:33:44 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00097315
Frequency	28.3
Structure
Chemical Formula	C₁₉H₂₆N₃O₅+
Molecular Mass	376.1867
SMILES	C[N+](C)(C)C(Cc1c[nH]c2ccccc12)C(=O)NC(CCC(=O)O)C(=O)O
InChI Key	KSWOYTHMDZAVTQ-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	dipeptides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amines azacyclic compounds benzenoids carbonyl compounds carboxylic acids dicarboxylic acids and derivatives fatty amides glutamic acid and derivatives heteroaromatic compounds hydrocarbon derivatives indoles n-acyl-alpha amino acids organic cations organic oxides organic salts organopnictogen compounds pyrroles secondary carboxylic acid amides tetraalkylammonium salts
Substituents	fatty acyl carbonyl group carboxylic acid indole fatty amide alpha-amino acid or derivatives organic oxide aromatic heteropolycyclic compound organonitrogen compound alpha-amino acid organopnictogen compound organic cation organic salt organoheterocyclic compound n-acyl-alpha amino acid or derivatives alpha-amino acid amide tetraalkylammonium salt azacycle n-acyl-alpha-amino acid quaternary ammonium salt heteroaromatic compound indole or derivatives glutamic acid or derivatives carboxamide group alpha-dipeptide secondary carboxylic acid amide organic oxygen compound pyrrole dicarboxylic acid or derivatives hydrocarbon derivative benzenoid organic nitrogen compound amine organooxygen compound

Showing information for DMID00097315