DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:05:59 UTC
Update Date	2025-03-25 00:55:57 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02215141
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₉N₅O₁₄P₄
Molecular Mass	568.9879
SMILES	CC1CC(n2cnc3c(N)ncnc32)OC1COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O
InChI Key	YDORBOZXXNLQQF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine deoxyribonucleotides
Direct Parent	purine 2',3'-dideoxyribonucleoside polyphosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	azacyclic compounds heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates n-substituted imidazoles organic oxides organooxygen compounds organopnictogen compounds oxacyclic compounds primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives tetrahydrofurans
Substituents	purine 2',3'-dideoxyribonucleoside polyphosphate imidazopyrimidine pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound azole n-substituted imidazole azacycle tetrahydrofuran heteroaromatic compound oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate hydrocarbon derivative primary amine purine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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