DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 09:23:01 UTC
Update Date	2025-03-24 20:17:57 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01401998
Frequency	0.9
Structure
Chemical Formula	C₂₂H₃₃N₁₀O₂₂P₅
Molecular Mass	944.0459
SMILES	Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(O)OCC2C(O)C(O)C(n3cnc4c(N)ncnc43)C(O)C2O)C(O)C1OP(=O)(O)O
InChI Key	FWWZQPAQUSTCRY-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	azacyclic compounds cyclitols and derivatives cyclohexanols heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic oxides organic phosphites organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purine ribonucleoside 2',5'-bisphosphates purines and purine derivatives pyrimidines and pyrimidine derivatives tetrahydrofurans
Substituents	pentose phosphate monosaccharide pentose-5-phosphate imidazopyrimidine pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole purine ribonucleoside 2',5'-bisphosphate organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound purine ribonucleoside triphosphate azole n-substituted imidazole alcohol organic phosphite azacycle tetrahydrofuran heteroaromatic compound cyclohexanol cyclitol or derivatives cyclic alcohol oxacycle 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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