DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:53:45 UTC
Update Date	2025-03-21 18:03:57 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00047586
Frequency	76.5
Structure
Chemical Formula	C₁₄H₁₆N₆O₂
Molecular Mass	300.1335
SMILES	Nc1nc(=O)c2c([nH]1)NCC(CNc1ccccc1)N2C=O
InChI Key	ASVAGWCDBZELJQ-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	amino acids and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives organic oxides organopnictogen compounds phenylalkylamines primary amines pyrimidones secondary alkylarylamines tertiary carboxylic acid amides vinylogous amides
Substituents	monocyclic benzene moiety carbonyl group amino acid or derivatives pyrimidone carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound tertiary carboxylic acid amide organonitrogen compound organopnictogen compound vinylogous amide pterin azacycle heteroaromatic compound secondary amine carboxamide group secondary aliphatic/aromatic amine organic oxygen compound phenylalkylamine hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine organooxygen compound

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