DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:10:20 UTC
Update Date	2025-03-25 00:57:30 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02225179
Frequency	0.5
Structure
Chemical Formula	C₁₈H₁₉N₇O₄
Molecular Mass	397.1499
SMILES	Nc1nc(=O)c2nc(CNc3ccc(C(=O)C(N)CCC(=O)O)cc3)cnc2[nH]1
InChI Key	ZOQMKAQLWZINMZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbonyl compounds
Direct Parent	alkyl-phenylketones
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	amino acids amino fatty acids aryl alkyl ketones azacyclic compounds benzoyl derivatives butyrophenones carboxylic acids gamma amino acids and derivatives heteroaromatic compounds heterocyclic fatty acids hydrocarbon derivatives medium-chain fatty acids monoalkylamines monocarboxylic acids and derivatives organic oxides organopnictogen compounds phenylalkylamines pterins and derivatives pyrazines pyrimidones secondary alkylarylamines vinylogous amides
Substituents	fatty acyl monocyclic benzene moiety carboxylic acid aryl alkyl ketone amino acid or derivatives amino acid heterocyclic fatty acid gamma amino acid or derivatives benzoyl fatty acid pyrimidone pteridine carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound medium-chain fatty acid organoheterocyclic compound vinylogous amide pterin azacycle heteroaromatic compound secondary amine amino fatty acid secondary aliphatic/aromatic amine butyrophenone monocarboxylic acid or derivatives pyrazine phenylalkylamine hydrocarbon derivative benzenoid primary aliphatic amine primary amine organic nitrogen compound amine alkyl-phenylketone

Showing information for DMID02225179