DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:07:42 UTC
Update Date	2025-03-21 18:30:03 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00080717
Frequency	36.0
Structure
Chemical Formula	C₂₂H₃₁N₇O₁₄P₂
Molecular Mass	679.1404
SMILES	NC(=O)C1=CN(C2C(O)C(O)C(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C2O)C=CC1
InChI Key	VWGQZPQRGILBRV-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	1,2-aminoalcohols amino acids and derivatives aminocyclitols and derivatives azacyclic compounds carbonyl compounds carboxylic acids and derivatives cyclopentanols dihydropyridines enamines heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles n-substituted nicotinamides organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds pentose phosphates primary amines primary carboxylic acid amides purine ribonucleoside monophosphates purines and purine derivatives pyrimidines and pyrimidine derivatives tetrahydrofurans trialkylamines vinylogous amides
Substituents	amino acid or derivatives purine ribonucleoside monophosphate nicotinamide monosaccharide pentose-5-phosphate imidazopyrimidine saccharide purine ribonucleoside diphosphate organonitrogen compound dihydropyridine organoheterocyclic compound alcohol vinylogous amide azacycle 1,2-aminoalcohol heteroaromatic compound tertiary aliphatic amine cyclitol or derivatives organic pyrophosphate monoalkyl phosphate hydrocarbon derivative primary amine amine enamine primary carboxylic acid amide carbonyl group pentose phosphate carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound imidolactam tertiary amine azole n-substituted imidazole aminocyclitol or derivatives tetrahydrofuran cyclic alcohol carboxamide group cyclopentanol n-substituted nicotinamide oxacycle organic oxygen compound phosphoric acid ester secondary alcohol purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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