DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:15:59 UTC
Update Date	2025-03-25 00:59:33 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02237809
Frequency	0.5
Structure
Chemical Formula	C₁₃H₁₉N₅O₁₂P₂
Molecular Mass	499.0505
SMILES	Nc1nc2c(ncn2C2OC(CO)C3C(O)C(COP(=O)(O)OP(=O)(O)O)OC32)c(=O)[nH]1
InChI Key	YLGOCBNTYCYVCC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleosides
Subclass	purine 3'-deoxyribonucleosides
Direct Parent	purine 3'-deoxyribonucleosides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	azacyclic compounds dialkyl ethers furofurans heteroaromatic compounds hydrocarbon derivatives hypoxanthines imidazoles lactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds pentose phosphates primary alcohols primary amines purines and purine derivatives pyrimidones secondary alcohols tetrahydrofurans vinylogous amides
Substituents	ether lactam pentose phosphate monosaccharide pentose-5-phosphate pyrimidone imidazopyrimidine dialkyl ether pyrimidine saccharide organic oxide aromatic heteropolycyclic compound furofuran imidazole organonitrogen compound organopnictogen compound primary alcohol organoheterocyclic compound azole n-substituted imidazole alcohol vinylogous amide azacycle tetrahydrofuran heteroaromatic compound organic pyrophosphate oxacycle purine 3'-deoxyribonucleoside 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

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