DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:10:14 UTC
Update Date	2025-03-25 00:57:28 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02224947
Frequency	0.5
Structure
Chemical Formula	C₇H₅N₇O₃
Molecular Mass	235.0454
SMILES	Nc1nc2nc3c(=O)[nH]c(=O)[nH]c3n2c(=O)[nH]1
InChI Key	YXHSAMQMDCGHCS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	imidazopyrimidines
Subclass	purines and purine derivatives
Direct Parent	purinones
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	aminotriazines azacyclic compounds halo-s-triazines heteroaromatic compounds hydrocarbon derivatives imidazoles lactams n-substituted imidazoles organic carbonic acids and derivatives organic oxides organooxygen compounds organopnictogen compounds primary amines pyrimidones triazinones vinylogous amides
Substituents	lactam amino-1,3,5-triazine pyrimidone purinone pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound azole n-substituted imidazole vinylogous amide carbonic acid derivative azacycle aminotriazine heteroaromatic compound organic oxygen compound halo-s-triazine triazine hydrocarbon derivative 1,3,5-triazine primary amine organic nitrogen compound amine triazinone organooxygen compound

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