DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 07:06:41 UTC
Update Date	2025-03-24 19:54:06 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01072914
Frequency	1.3
Structure
Chemical Formula	C₂₃H₂₉N₁₁O₁₉P₄
Molecular Mass	887.0592
SMILES	Nc1ncnc2c1ncc1c2ncn1C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C(O)C1OP(=O)(O)O
InChI Key	TVGUTBSKJDFEHL-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	2-halopyridines azacyclic compounds heteroaromatic compounds hydrocarbon derivatives hydroxypyridines imidazoles imidazopyridines imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates polyhalopyridines primary amines purine ribonucleoside monophosphates purines and purine derivatives pyridopyrimidines 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 pyridopyrimidine organopnictogen compound 2-halopyridine imidolactam purine ribonucleoside triphosphate organoheterocyclic compound azole n-substituted imidazole alcohol 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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