DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:52:11 UTC
Update Date	2025-03-21 18:03:22 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00043783
Frequency	77.5
Structure
Chemical Formula	C₁₉H₂₈N₈O₂₀P₄
Molecular Mass	812.037
SMILES	Nc1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c(=O)n1
InChI Key	KBPVJJQZBBJULT-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	azacyclic compounds heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic carbonic acids and derivatives organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purine ribonucleoside 2',5'-bisphosphates purines and purine derivatives pyrimidine ribonucleoside triphosphates pyrimidones secondary alcohols tetrahydrofurans
Substituents	pyrimidine ribonucleoside triphosphate pentose phosphate monosaccharide pentose-5-phosphate pyrimidone imidazopyrimidine pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole purine ribonucleoside 2',5'-bisphosphate organonitrogen compound organopnictogen compound imidolactam purine ribonucleoside triphosphate organoheterocyclic compound azole n-substituted imidazole alcohol carbonic acid derivative azacycle tetrahydrofuran heteroaromatic compound 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

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