DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:10:13 UTC
Update Date	2025-03-25 00:57:28 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02224935
Frequency	0.5
Structure
Chemical Formula	C₂₁H₂₈N₆O₁₅P₂
Molecular Mass	666.1088
SMILES	Nc1nc2c(ncn2C2CC(O)C(COP(=O)(O)OP(=O)(O)OCC3OC(N4C=CCC(C(=O)O)=C4)C(O)C3O)O2)c(=O)[nH]1
InChI Key	OMHPTZIZOPMSQV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine deoxyribonucleotides
Direct Parent	purine 2'-deoxyribonucleoside diphosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	amino acids azacyclic compounds carbonyl compounds carboxylic acids dihydropyridines enamines heteroaromatic compounds hydrocarbon derivatives hypoxanthines imidazoles lactams monoalkyl phosphates monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purines and purine derivatives pyrimidones secondary alcohols tetrahydrofurans vinylogous amides
Substituents	carbonyl group lactam carboxylic acid pentose phosphate amino acid or derivatives amino acid monosaccharide pentose-5-phosphate pyrimidone imidazopyrimidine carboxylic acid derivative pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound dihydropyridine organoheterocyclic compound azole n-substituted imidazole alcohol vinylogous amide azacycle tetrahydrofuran heteroaromatic compound purine 2'-deoxyribonucleoside diphosphate organic pyrophosphate oxacycle monocarboxylic acid or derivatives organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hypoxanthine hydrocarbon derivative primary amine purine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound enamine

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