DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:55:07 UTC
Update Date	2025-03-21 18:04:27 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00050747
Frequency	64.6
Structure
Chemical Formula	C₁₀H₁₃N₅O₁₀P₂
Molecular Mass	425.0138
SMILES	Nc1nc2c(ncn2C2OC3COP(=O)(O)OC3C2OP(=O)(O)O)c(=O)[nH]1
InChI Key	ZAACOIMWHSDVOB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	cyclic purine nucleotides
Direct Parent	3',5'-cyclic purine nucleotides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	azacyclic compounds heteroaromatic compounds hydrocarbon derivatives hypoxanthines imidazoles lactams monoalkyl phosphates n-substituted imidazoles organic oxides organooxygen compounds organopnictogen compounds oxacyclic compounds primary amines purines and purine derivatives pyrimidones tetrahydrofurans vinylogous amides
Substituents	lactam pyrimidone imidazopyrimidine pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound organoheterocyclic compound azole n-substituted imidazole vinylogous amide azacycle tetrahydrofuran heteroaromatic compound 3',5'-cyclic purine ribonucleotide oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate hypoxanthine hydrocarbon derivative purine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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