DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:50:47 UTC
Update Date	2025-03-25 00:50:20 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02180310
Frequency	0.5
Structure
Chemical Formula	C₂₃H₃₃N₆O₁₃P₂+
Molecular Mass	663.1575
SMILES	Cc1cc(C)[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)c(C)c1
InChI Key	BUPSDVTXIMYIKW-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	pyridine nucleotides
Subclass	pyridine nucleotides
Direct Parent	pyridine nucleotides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	2-halopyridines azacyclic compounds heteroaromatic compounds hydrocarbon derivatives hydroxypyridines imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic cations organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds pentose phosphates polyhalopyridines primary amines purine ribonucleoside diphosphates purine ribonucleoside monophosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans
Substituents	pentose phosphate polyhalopyridine purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine pyrimidine saccharide organic oxide purine ribonucleoside diphosphate aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound 2-halopyridine organic cation imidolactam organoheterocyclic compound azole n-substituted imidazole pyridine nucleotide alcohol azacycle tetrahydrofuran heteroaromatic compound hydroxypyridine organic pyrophosphate 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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