DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 03:08:29 UTC
Update Date	2025-03-21 22:10:32 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00505438
Frequency	3.4
Structure
Chemical Formula	C₂₁H₃₁N₉O₂₅P₆
Molecular Mass	994.9857
SMILES	Nc1nccc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C(O)C1O
InChI Key	TUNUZTWWSKOKJK-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	2-halopyridines azacyclic compounds heteroaromatic compounds hydrocarbon derivatives hydroxypyridines imidazole[4,5-c]pyridine ribonucleosides and ribonucleotides imidazoles imidazopyridines imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates polyhalopyridines primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans
Substituents	pentose phosphate polyhalopyridine purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine imidazopyridine pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound 2-halopyridine imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol imidazole[4,5-c]pyridine ribonucleoside,ribonucleotide or analogue azacycle tetrahydrofuran heteroaromatic compound hydroxypyridine oxacycle pyridine 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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