DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 03:50:28 UTC
Update Date	2025-03-21 22:58:24 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00605462
Frequency	2.7
Structure
Chemical Formula	C₂₃H₃₅N₇O₂₁P₄
Molecular Mass	869.0836
SMILES	NC(=O)C1=CN(C2C(O)C(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1
InChI Key	AYXKUCNWLKLESP-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	1,2-aminoalcohols amino acids and derivatives azacyclic compounds carbonyl compounds carboxylic acids and derivatives cyclitols and derivatives cyclohexanols cyclohexylamines dihydropyridines enamines heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles n-substituted nicotinamides organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary amines primary carboxylic acid amides purine ribonucleoside 2',5'-bisphosphates purines and purine derivatives pyrimidines and pyrimidine derivatives tetrahydrofurans trialkylamines vinylogous amides
Substituents	amino acid or derivatives nicotinamide monosaccharide pentose-5-phosphate cyclohexylamine imidazopyrimidine saccharide purine ribonucleoside 2',5'-bisphosphate organonitrogen compound dihydropyridine purine ribonucleoside triphosphate organoheterocyclic compound alcohol vinylogous amide azacycle 1,2-aminoalcohol heteroaromatic compound tertiary aliphatic amine cyclohexanol cyclitol or derivatives monoalkyl phosphate hydrocarbon derivative primary amine amine enamine primary carboxylic acid amide carbonyl group pentose phosphate carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound imidolactam tertiary amine azole n-substituted imidazole tetrahydrofuran cyclic alcohol carboxamide group n-substituted nicotinamide oxacycle organic oxygen compound phosphoric acid ester secondary alcohol purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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