DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:47:12 UTC
Update Date	2025-03-21 18:01:15 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00031798
Frequency	115.4
Structure
Chemical Formula	C₁₀H₁₄N₅O₁₂P₃
Molecular Mass	488.9852
SMILES	Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C2OP(=O)(O)OC21
InChI Key	MVGURPZHOSFXOZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine ribonucleotides
Direct Parent	purine ribonucleoside diphosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	2',3'-cyclic purine nucleotides azacyclic compounds dioxaphospholanes heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates n-substituted imidazoles organic oxides organic pyrophosphates 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 imidazopyrimidine pyrimidine organic oxide purine ribonucleoside diphosphate 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 organic pyrophosphate 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 2',3'-cyclic purine ribonucleotide

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