DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:09:48 UTC
Update Date	2025-03-21 18:31:23 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00085641
Frequency	33.4
Structure
Chemical Formula	C₁₁H₁₆N₆O₃
Molecular Mass	280.1284
SMILES	Cn1c(N)nc2c(ncn2C2CC(O)C(CO)O2)c1=N
InChI Key	VXHXKHXTSSLNMH-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	azacyclic compounds heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monosaccharides n-substituted imidazoles organopnictogen compounds oxacyclic compounds primary alcohols primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans
Substituents	monosaccharide imidazopyrimidine pyrimidine saccharide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound primary alcohol imidolactam purine 2'-deoxyribonucleoside organoheterocyclic compound azole n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound oxacycle organic oxygen compound secondary alcohol hydrocarbon derivative primary amine purine organic nitrogen compound amine organooxygen compound

Showing information for DMID00085641