DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:46:45 UTC
Update Date	2025-03-21 18:01:03 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00030729
Frequency	120.8
Structure
Chemical Formula	C₂₁H₃₁N₇O₁₄P₂
Molecular Mass	667.1404
SMILES	NC(=O)C1=CN(C2OC(CO[PH](=O)(=O)O[PH](O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1
InChI Key	AQUCEHMTPLETHT-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	amino acids and derivatives azacyclic compounds carbonyl compounds carboxylic acids and derivatives dihydropyridines enamines heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monosaccharides n-substituted imidazoles n-substituted nicotinamides organic oxides organic phosphoric acids and derivatives organopnictogen compounds oxacyclic compounds primary amines primary carboxylic acid amides purine nucleosides purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans vinylogous amides
Substituents	primary carboxylic acid amide carbonyl group amino acid or derivatives purine ribonucleoside monophosphate nicotinamide monosaccharide imidazopyrimidine carboxylic acid derivative pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound dihydropyridine imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol vinylogous amide azacycle tetrahydrofuran purine nucleoside heteroaromatic compound carboxamide group n-substituted nicotinamide oxacycle organic oxygen compound secondary alcohol hydrocarbon derivative primary amine purine organic nitrogen compound organic phosphoric acid derivative amine organooxygen compound enamine

Showing information for DMID00030729