DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 13:28:20 UTC
Update Date	2025-03-24 22:05:16 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01986715
Frequency	0.6
Structure
Chemical Formula	C₂₁H₂₉N₁₀O₂₀P₅
Molecular Mass	896.0248
SMILES	Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C3OP(=O)(O)OC23)C(CP(=O)(O)O)C1O
InChI Key	DAVXRNDKNLEBHP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine ribonucleotides
Direct Parent	purine ribonucleoside triphosphates
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 phosphonic acids and derivatives organophosphorus compounds organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives ribonucleoside 3'-phosphates secondary alcohols tetrahydrofurans
Substituents	pentose phosphate imidazopyrimidine pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound organophosphorus compound imidolactam purine ribonucleoside triphosphate organophosphonic acid derivative organoheterocyclic compound azole n-substituted imidazole ribonucleoside 3'-phosphate alcohol azacycle tetrahydrofuran heteroaromatic compound 1,3_dioxaphospholane oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol 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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