DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:22 UTC
Update Date	2025-03-25 00:45:54 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02151973
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₄N₆O₄
Molecular Mass	294.1077
SMILES	NC(=O)c1nc(N)nc2c1ncn2C1CC(O)C(CO)O1
InChI Key	QMXCNLVGENZJCM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleosides
Subclass	purine 2'-deoxyribonucleosides
Direct Parent	purine 2'-deoxyribonucleosides
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 monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds primary alcohols primary amines primary carboxylic acid amides purines and purine derivatives pyrimidinecarboxylic acids and derivatives secondary alcohols 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 purine 2'-deoxyribonucleoside organoheterocyclic compound azole n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound carboxamide group oxacycle organic oxygen compound secondary alcohol hydrocarbon derivative primary amine purine organic nitrogen compound pyrimidine-6-carboxylic acid or derivatives amine organooxygen compound

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