DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:16:18 UTC
Update Date	2025-03-25 00:38:03 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02100593
Frequency	0.6
Structure
Chemical Formula	C₂₁H₃₂N₇O₂₃P₅
Molecular Mass	905.0238
SMILES	NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5ncnc(N)c54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1
InChI Key	VIOTUFTYRWMSPL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleosides
Subclass	purine nucleosides
Direct Parent	purine nucleosides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	amino acids and derivatives azacyclic compounds carbonyl compounds carboxylic acids and derivatives dihydropyridines enamines heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles n-substituted nicotinamides nicotinamide nucleotides nucleoside and nucleotide analogues organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary amines primary carboxylic acid amides purine 2',3'-dideoxyribonucleoside polyphosphates purine 2'-deoxyribonucleoside polyphosphates purine 3'-deoxyribonucleoside polyphosphates purine ribonucleoside polyphosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans vinylogous amides
Substituents	purine 2',3'-dideoxyribonucleoside polyphosphate amino acid or derivatives nicotinamide monosaccharide pentose-5-phosphate nicotinamide-nucleotide imidazopyrimidine purine 2'-deoxyribonucleoside polyphosphate saccharide organonitrogen compound dihydropyridine organoheterocyclic compound alcohol vinylogous amide azacycle purine nucleoside heteroaromatic compound purine 3'-deoxyribonucleoside polyphosphate 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 azole n-substituted imidazole tetrahydrofuran carboxamide group purine ribonucleoside polyphosphate 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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