DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:14:38 UTC
Update Date	2025-03-21 18:33:42 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00097150
Frequency	28.4
Structure
Chemical Formula	C₁₉H₂₂N₈O₅
Molecular Mass	442.1713
SMILES	Nc1nc(=O)c2c([nH]1)NCC(CNc1ccc(C(=O)NC(=O)CCC(N)C(=O)O)cc1)=N2
InChI Key	SHDBEPOBNXXANC-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	glutamine and derivatives
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alpha amino acids amino acids azacyclic compounds benzoic acids and derivatives benzoyl derivatives carbonyl compounds carboxylic acids dicarboximides heteroaromatic compounds hydrocarbon derivatives ketimines monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-unsubstituted carboxylic acid imides organic oxides organopnictogen compounds phenylalkylamines propargyl-type 1,3-dipolar organic compounds pterins and derivatives pyrimidones secondary alkylarylamines vinylogous amides
Substituents	ketimine monocyclic benzene moiety carbonyl group carboxylic acid glutamine or derivatives amino acid imine benzoyl pyrimidone pteridine pyrimidine propargyl-type 1,3-dipolar organic compound carboxylic acid imide, n-unsubstituted organic oxide aromatic heteropolycyclic compound organonitrogen compound alpha-amino acid organopnictogen compound dicarboximide organoheterocyclic compound vinylogous amide pterin azacycle heteroaromatic compound benzoic acid or derivatives organic 1,3-dipolar compound secondary amine n-acyl-amine secondary aliphatic/aromatic amine carboxylic acid imide monocarboxylic acid or derivatives organic oxygen compound phenylalkylamine hydrocarbon derivative benzenoid primary aliphatic amine primary amine organic nitrogen compound amine organooxygen compound

Showing information for DMID00097150