DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:47 UTC
Update Date	2025-03-25 00:46:03 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02152982
Frequency	0.5
Structure
Chemical Formula	C₂₁H₂₈N₇O₁₈P₃
Molecular Mass	759.0704
SMILES	NC(=O)c1ccc(=O)n(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)c1
InChI Key	ASCNEOUEVHXKNC-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	amino acids and derivatives azacyclic compounds carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives hydroxypyridines imidazoles imidolactams lactams monoalkyl phosphates monosaccharides n-substituted imidazoles nicotinamides organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary amines primary carboxylic acid amides purine ribonucleoside monophosphates purines and purine derivatives pyridinecarboxylic acids and derivatives pyridinones pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans vinylogous amides
Substituents	primary carboxylic acid amide pyridine carboxylic acid or derivatives lactam pentose phosphate amino acid or derivatives purine ribonucleoside monophosphate nicotinamide monosaccharide pentose-5-phosphate imidazopyrimidine carboxylic acid derivative pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam purine ribonucleoside triphosphate organoheterocyclic compound azole n-substituted imidazole alcohol vinylogous amide azacycle tetrahydrofuran heteroaromatic compound hydroxypyridine carboxamide group oxacycle pyridine organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative purine primary amine organic nitrogen compound pyridinone organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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