DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:59:11 UTC
Update Date	2025-03-25 00:53:24 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02199383
Frequency	0.5
Structure
Chemical Formula	C₂₂H₃₂N₇O₁₅P₃
Molecular Mass	727.1169
SMILES	NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3CP(=O)(O)O)CC2O)C=CC1
InChI Key	LMDDZYNEBBTWBG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine deoxyribonucleotides
Direct Parent	purine 3'-deoxyribonucleoside diphosphates
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 n-substituted imidazoles n-substituted nicotinamides nicotinamide nucleotides organic oxides organic phosphonic acids and derivatives organic pyrophosphates organophosphorus compounds organopnictogen compounds oxacyclic compounds pentose phosphates primary amines primary carboxylic acid amides purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans vinylogous amides
Substituents	primary carboxylic acid amide carbonyl group pentose phosphate amino acid or derivatives nicotinamide nicotinamide-nucleotide imidazopyrimidine carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound organophosphorus compound dihydropyridine imidolactam organophosphonic acid derivative organoheterocyclic compound azole n-substituted imidazole alcohol vinylogous amide azacycle tetrahydrofuran heteroaromatic compound purine 3'-deoxyribonucleoside diphosphate carboxamide group organic pyrophosphate n-substituted nicotinamide oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative primary amine purine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound enamine

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