DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:07:22 UTC
Update Date	2025-03-25 00:56:26 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02218390
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₆N₆O₅
Molecular Mass	324.1182
SMILES	CNc1nc(C(N)=O)nc2c1ncn2C1OC(CO)C(O)C1O
InChI Key	PZEHGPLJPZZKHG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleosides
Subclass	purine nucleosides
Direct Parent	purine nucleosides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	2-heteroaryl carboxamides amino acids and derivatives azacyclic compounds carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds primary alcohols primary carboxylic acid amides purines and purine derivatives pyrimidinecarboxylic acids and derivatives secondary alcohols secondary alkylarylamines tetrahydrofurans
Substituents	primary carboxylic acid amide amino acid or derivatives monosaccharide imidazopyrimidine carboxylic acid derivative 2-heteroaryl carboxamide pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound primary alcohol imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol azacycle tetrahydrofuran purine nucleoside heteroaromatic compound secondary amine carboxamide group secondary aliphatic/aromatic amine oxacycle organic oxygen compound secondary alcohol hydrocarbon derivative purine organic nitrogen compound pyrimidine-2-carboxylic acid or derivatives organooxygen compound amine

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