DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:12:47 UTC
Update Date	2025-03-25 00:58:24 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02230485
Frequency	0.5
Structure
Chemical Formula	C₁₇H₂₂N₈O₃
Molecular Mass	386.1815
SMILES	CN1c2c(nc(N)[nH]c2=O)NCC1CNc1ccc(C(=O)NC(=O)CN)cc1
InChI Key	JVSNCILOQZTMMA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	pteridines and derivatives
Subclass	pterins and derivatives
Direct Parent	pterins and derivatives
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids azacyclic compounds benzoic acids and derivatives benzoyl derivatives carbonyl compounds carboxylic acids and derivatives dialkylarylamines dicarboximides heteroaromatic compounds hydrocarbon derivatives imidolactams lactams monoalkylamines n-unsubstituted carboxylic acid imides organic oxides organopnictogen compounds phenylalkylamines pyrimidones secondary alkylarylamines vinylogous amides
Substituents	monocyclic benzene moiety carbonyl group lactam amino acid or derivatives benzoyl pyrimidone alpha-amino acid or derivatives carboxylic acid derivative pyrimidine carboxylic acid imide, n-unsubstituted organic oxide aromatic heteropolycyclic compound tertiary aliphatic/aromatic amine organonitrogen compound alpha-amino acid organopnictogen compound dicarboximide dialkylarylamine imidolactam tertiary amine vinylogous amide pterin alpha-amino acid amide azacycle heteroaromatic compound benzoic acid or derivatives secondary amine secondary aliphatic/aromatic amine carboxylic acid imide organic oxygen compound phenylalkylamine hydrocarbon derivative benzenoid primary aliphatic amine primary amine organic nitrogen compound amine organooxygen compound

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