DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:58:28 UTC
Update Date	2025-03-25 00:53:03 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02197677
Frequency	0.5
Structure
Chemical Formula	C₁₉H₂₃N₇O₄
Molecular Mass	413.1812
SMILES	CCC(C)C(NC(=O)c1ccc(NCc2nc3c(=O)nc(N)[nH]c3[nH]2)cc1)C(=O)O
InChI Key	ZMGIAESOYUBINQ-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	isoleucine and derivatives
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alpha amino acids amino acids azacyclic compounds benzoyl derivatives carbonyl compounds carboxylic acids heteroaromatic compounds hippuric acids and derivatives hydrocarbon derivatives hypoxanthines imidazoles monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds phenylalkylamines primary amines purines and purine derivatives pyrimidones secondary alkylarylamines secondary carboxylic acid amides vinylogous amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid amino acid benzoyl pyrimidone imidazopyrimidine benzamide pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound alpha-amino acid organopnictogen compound isoleucine or derivatives organoheterocyclic compound azole n-acyl-alpha amino acid or derivatives vinylogous amide azacycle n-acyl-alpha-amino acid hippuric acid or derivatives heteroaromatic compound benzoic acid or derivatives secondary amine carboxamide group secondary aliphatic/aromatic amine secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound phenylalkylamine hypoxanthine hydrocarbon derivative benzenoid primary amine purine organic nitrogen compound amine organooxygen compound

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