DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:42:10 UTC
Update Date	2025-03-21 17:59:19 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00020131
Frequency	201.9
Structure
Chemical Formula	C₁₀H₁₃N₅O₉P₂
Molecular Mass	409.0188
SMILES	Nc1ncnc2c1ncn2C1OC2COP(=O)(O)OC2C1OP(=O)(O)O
InChI Key	PBSDXNCZALWBCW-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 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	imidazopyrimidine pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound azole n-substituted imidazole azacycle tetrahydrofuran heteroaromatic compound 3',5'-cyclic purine ribonucleotide oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate hydrocarbon derivative purine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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