DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:53:03 UTC
Update Date	2025-03-25 00:51:12 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02185414
Frequency	0.5
Structure
Chemical Formula	C₁₈H₂₁N₉O₄
Molecular Mass	427.1716
SMILES	NC(=O)CC(NC(=O)c1ccc(NCC2=Nc3c([nH]c(N)nc3=O)NC2)cc1)C(N)=O
InChI Key	SVLIFGXUWZCQTE-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	asparagine and derivatives
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alpha amino acids azacyclic compounds benzoyl derivatives carbonyl compounds carboxylic acids and derivatives fatty amides heteroaromatic compounds hippuric acids and derivatives hydrocarbon derivatives ketimines n-acyl-alpha amino acids organic oxides organopnictogen compounds phenylalkylamines primary amines primary carboxylic acid amides propargyl-type 1,3-dipolar organic compounds pterins and derivatives pyrimidones secondary alkylarylamines secondary carboxylic acid amides vinylogous amides
Substituents	primary carboxylic acid amide fatty acyl ketimine monocyclic benzene moiety carbonyl group imine fatty amide benzoyl pyrimidone pteridine benzamide pyrimidine propargyl-type 1,3-dipolar organic compound organic oxide aromatic heteropolycyclic compound organonitrogen compound alpha-amino acid organopnictogen compound asparagine or derivatives organoheterocyclic compound n-acyl-alpha amino acid or derivatives vinylogous amide pterin azacycle n-acyl-alpha-amino acid hippuric acid or derivatives heteroaromatic compound benzoic acid or derivatives organic 1,3-dipolar compound secondary amine carboxamide group secondary aliphatic/aromatic amine secondary carboxylic acid amide organic oxygen compound phenylalkylamine hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine organooxygen compound

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