DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:17:11 UTC
Update Date	2025-03-21 18:35:00 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00103457
Frequency	26.3
Structure
Chemical Formula	C₁₉H₂₅N₇O₁₃P₂
Molecular Mass	621.0986
SMILES	NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)O2)C=CC1
InChI Key	JRVBBAUXQYZNHC-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-diols amino acids and derivatives azacyclic compounds carbonyl compounds carboxylic acids and derivatives dihydropyridines dioxetanes enamines heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles n-substituted nicotinamides organic oxides organic pyrophosphates organopnictogen compounds orthocarboxylic acid derivatives oxacyclic compounds pentose phosphates primary amines primary carboxylic acid amides purine ribonucleoside monophosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans vinylogous amides
Substituents	amino acid or derivatives purine ribonucleoside monophosphate nicotinamide monosaccharide pentose-5-phosphate imidazopyrimidine saccharide purine ribonucleoside diphosphate organonitrogen compound dihydropyridine orthocarboxylic acid derivative organoheterocyclic compound 1,2-diol alcohol vinylogous amide azacycle heteroaromatic compound organic pyrophosphate monoalkyl phosphate hydrocarbon derivative primary amine amine enamine primary carboxylic acid amide carbonyl group pentose phosphate carboxylic acid derivative 1,3-dioxetane pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound imidolactam azole n-substituted imidazole tetrahydrofuran carboxamide group n-substituted nicotinamide oxacycle organic oxygen compound phosphoric acid ester secondary alcohol purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

Showing information for DMID00103457