DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:19:03 UTC
Update Date	2025-03-25 01:00:48 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02244911
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₇N₅O₉P₂
Molecular Mass	437.0502
SMILES	CCOP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C2OP(=O)(O)OC12
InChI Key	DHPJTVJZRKYQPO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine ribonucleotides
Direct Parent	purine ribonucleoside monophosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	2',3'-cyclic purine nucleotides azacyclic compounds dialkyl phosphates dioxaphospholanes heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams n-substituted imidazoles organic oxides organooxygen compounds organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives ribonucleoside 3'-phosphates tetrahydrofurans
Substituents	pentose phosphate purine ribonucleoside monophosphate imidazopyrimidine pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound azole n-substituted imidazole ribonucleoside 3'-phosphate azacycle tetrahydrofuran heteroaromatic compound 1,3_dioxaphospholane oxacycle dialkyl phosphate organic oxygen compound phosphoric acid ester hydrocarbon derivative purine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound 2',3'-cyclic purine ribonucleotide

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