DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:51:42 UTC
Update Date	2025-03-21 18:03:10 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00042585
Frequency	136.2
Structure
Chemical Formula	C₁₀H₁₂N₅O₈P
Molecular Mass	361.0423
SMILES	Nc1nc2c(nc(O)n2C2OC(CO)C3OP(=O)(O)OC32)c(=O)[nH]1
InChI Key	MXGZACNVDOLDEM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	cyclic purine nucleotides
Direct Parent	2',3'-cyclic purine nucleotides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	azacyclic compounds dioxaphospholanes heteroaromatic compounds hydrocarbon derivatives hypoxanthines imidazoles lactams n-substituted imidazoles organic oxides organic phosphoric acids and derivatives organopnictogen compounds oxacyclic compounds primary alcohols primary amines purines and purine derivatives pyrimidones ribonucleoside 3'-phosphates tetrahydrofurans vinylogous amides
Substituents	lactam pyrimidone imidazopyrimidine pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound primary alcohol organoheterocyclic compound azole n-substituted imidazole ribonucleoside 3'-phosphate alcohol vinylogous amide azacycle tetrahydrofuran heteroaromatic compound 1,3_dioxaphospholane oxacycle organic oxygen compound hypoxanthine hydrocarbon derivative purine primary amine organic nitrogen compound organic phosphoric acid derivative amine organooxygen compound 2',3'-cyclic purine ribonucleotide

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