DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:56:45 UTC
Update Date	2025-03-21 18:05:03 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00054457
Frequency	59.1
Structure
Chemical Formula	C₁₁H₁₄N₅O₆P
Molecular Mass	343.0682
SMILES	COP1(=O)OC2C(CO)OC(n3cnc4c(N)ncnc43)C2O1
InChI Key	MYVNLLODYWOCPF-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 imidazoles imidolactams n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds phosphate esters primary alcohols primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives ribonucleoside 3'-phosphates tetrahydrofurans
Substituents	imidazopyrimidine pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound primary alcohol imidolactam organoheterocyclic compound azole n-substituted imidazole ribonucleoside 3'-phosphate alcohol azacycle tetrahydrofuran heteroaromatic compound 1,3_dioxaphospholane oxacycle organic oxygen compound phosphoric acid ester hydrocarbon derivative purine primary amine organic nitrogen compound organic phosphoric acid derivative amine organooxygen compound 2',3'-cyclic purine ribonucleotide

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