DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:18:32 UTC
Update Date	2025-03-25 01:00:37 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02243676
Frequency	0.5
Structure
Chemical Formula	C₂₃H₃₁N₇O₁₅P₂
Molecular Mass	707.1353
SMILES	CC(=O)NC1C(COP(=O)(O)OP(=O)(O)OCC2OC(N3C=CCC(C(N)=O)=C3)C(O)C2O)OC(n2cnc3c(=O)nc[nH]c32)C1O
InChI Key	GWLFUBOCQNAXGF-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	acetamides azacyclic compounds carbonyl compounds carboxylic acids and derivatives dihydropyridines enamines heteroaromatic compounds hydrocarbon derivatives hypoxanthines imidazoles monoalkyl phosphates monosaccharides n-substituted imidazoles n-substituted nicotinamides nicotinamide nucleotides organic oxides organic pyrophosphates organonitrogen compounds organopnictogen compounds oxacyclic compounds pentose phosphates primary carboxylic acid amides purines and purine derivatives pyrimidones secondary alcohols secondary carboxylic acid amides tetrahydrofurans vinylogous amides
Substituents	primary carboxylic acid amide carbonyl group pentose phosphate nicotinamide monosaccharide pentose-5-phosphate pyrimidone nicotinamide-nucleotide imidazopyrimidine carboxylic acid derivative pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound dihydropyridine organoheterocyclic compound acetamide azole n-substituted imidazole alcohol vinylogous amide azacycle tetrahydrofuran heteroaromatic compound purine 3'-deoxyribonucleoside diphosphate carboxamide group organic pyrophosphate n-substituted nicotinamide oxacycle secondary carboxylic acid amide organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hypoxanthine hydrocarbon derivative purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound enamine

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