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	DMID02225163
Frequency	0.5
Structure
Chemical Formula	C₂₀H₂₄N₈O₅
Molecular Mass	456.187
SMILES	Nc1nc(=O)c2c([nH]1)NCC(CNc1ccc(C(=O)NC(=O)CCCC(N)C(=O)O)cc1)=N2
InChI Key	NYFRXXHRFANZQJ-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	delta amino acids and derivatives
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alpha amino acids amino acids amino fatty acids azacyclic compounds benzoic acids and derivatives benzoyl derivatives carbonyl compounds carboxylic acids dicarboximides heteroaromatic compounds heterocyclic fatty acids hydrocarbon derivatives ketimines medium-chain fatty acids 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	monocyclic benzene moiety carboxylic acid benzoyl alpha-amino acid or derivatives pteridine carboxylic acid imide, n-unsubstituted organonitrogen compound alpha-amino acid organoheterocyclic compound vinylogous amide pterin azacycle heteroaromatic compound organic 1,3-dipolar compound secondary aliphatic/aromatic amine carboxylic acid imide hydrocarbon derivative primary aliphatic amine primary amine amine fatty acyl ketimine carbonyl group amino acid heterocyclic fatty acid imine fatty acid pyrimidone pyrimidine propargyl-type 1,3-dipolar organic compound organic oxide aromatic heteropolycyclic compound organopnictogen compound delta amino acid or derivatives medium-chain fatty acid dicarboximide benzoic acid or derivatives secondary amine amino fatty acid n-acyl-amine monocarboxylic acid or derivatives organic oxygen compound phenylalkylamine benzenoid organic nitrogen compound organooxygen compound

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