DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:04:15 UTC
Update Date	2025-03-25 00:55:12 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02211132
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₆N₆O₄
Molecular Mass	308.1233
SMILES	CC(=O)NC(C(=O)C1=Nc2c([nH]c(N)nc2=O)NC1)C(C)O
InChI Key	WTXJRVRDEPAGLH-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	acetamides amino acids and derivatives azacyclic compounds beta-hydroxy ketones carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives ketimines organic oxides organopnictogen compounds primary amines propargyl-type 1,3-dipolar organic compounds pyrimidones secondary alcohols secondary alkylarylamines secondary carboxylic acid amides vinylogous amides
Substituents	beta-hydroxy ketone ketimine carbonyl group amino acid or derivatives imine pyrimidone carboxylic acid derivative pyrimidine propargyl-type 1,3-dipolar organic compound ketone organic oxide aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound acetamide alcohol vinylogous amide pterin azacycle heteroaromatic compound organic 1,3-dipolar compound secondary amine carboxamide group secondary aliphatic/aromatic amine secondary carboxylic acid amide organic oxygen compound secondary alcohol hydrocarbon derivative primary amine organic nitrogen compound amine organooxygen compound

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