DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:22:21 UTC
Update Date	2025-03-25 01:01:55 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02252474
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₈N₆O₉P₂
Molecular Mass	452.061
SMILES	NCCOP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C2OP(=O)(O)OC12
InChI Key	PPRLLILWRBMBNL-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 monoalkylamines n-substituted imidazoles organic oxides organooxygen compounds organopnictogen compounds oxacyclic compounds pentose phosphates phosphoethanolamines purines and purine derivatives pyrimidines and pyrimidine derivatives ribonucleoside 3'-phosphates tetrahydrofurans
Substituents	pentose phosphate purine ribonucleoside monophosphate imidazopyrimidine pyrimidine phosphoethanolamine 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 primary aliphatic amine purine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound 2',3'-cyclic purine ribonucleotide

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