DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:45:59 UTC
Update Date	2025-03-25 00:48:38 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02169260
Frequency	0.5
Structure
Chemical Formula	C₁₆H₂₆N₆O₄
Molecular Mass	366.2016
SMILES	CCN(CC)CCNc1ncnc2c1cnn2C1OC(CO)C(O)C1O
InChI Key	CWHNOTDFZFVZMO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	pyrazolo[3,4-d]pyrimidine glycosides
Subclass	pyrazolo[3,4-d]pyrimidine glycosides
Direct Parent	pyrazolo[3,4-d]pyrimidine glycosides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	azacyclic compounds heteroaromatic compounds hydrocarbon derivatives imidolactams monosaccharides organopnictogen compounds oxacyclic compounds primary alcohols pyrazoles pyrazolo[3,4-d]pyrimidines pyrimidines and pyrimidine derivatives secondary alcohols secondary alkylarylamines tetrahydrofurans trialkylamines
Substituents	pyrazolo[3,4-d]pyrimidine glycoside monosaccharide pyrazole pyrimidine saccharide pyrazolopyrimidine aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound primary alcohol imidolactam tertiary amine organoheterocyclic compound azole pyrazolo[3,4-d]pyrimidine alcohol azacycle tetrahydrofuran heteroaromatic compound tertiary aliphatic amine secondary amine secondary aliphatic/aromatic amine oxacycle organic oxygen compound secondary alcohol hydrocarbon derivative organic nitrogen compound amine organooxygen compound

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