DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:50 UTC
Update Date	2025-03-25 00:54:38 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02207714
Frequency	0.5
Structure
Chemical Formula	C₁₀H₁₅N₅O₉P₂
Molecular Mass	411.0345
SMILES	Nc1ncnc2c1ncn2C1COC(CO)C1OP(=O)(O)OP(=O)(O)O
InChI Key	FDVLMNIJEXBPIU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organic oxoanionic compounds
Subclass	organic pyrophosphates
Direct Parent	organic pyrophosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	azacyclic compounds dialkyl ethers heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds primary alcohols primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives tetrahydrofurans
Substituents	ether imidazopyrimidine dialkyl ether pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound primary alcohol imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound organic pyrophosphate oxacycle 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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