DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:40 UTC
Update Date	2025-03-25 00:54:35 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02207320
Frequency	0.5
Structure
Chemical Formula	C₁₆H₂₅N₅O₁₄P₂
Molecular Mass	573.0873
SMILES	Nc1nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)OC3CC(CO)C(O)C3O)C(O)C2O)c(=O)[nH]1
InChI Key	HSQMICNLSLXJFK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine ribonucleotides
Direct Parent	purine ribonucleoside diphosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	azacyclic compounds cyclitols and derivatives cyclopentanols 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 purine ribonucleoside monophosphates purines and purine derivatives pyrimidones tetrahydrofurans vinylogous amides
Substituents	lactam pentose phosphate purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate pyrimidone imidazopyrimidine pyrimidine saccharide organic oxide purine ribonucleoside diphosphate aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound primary alcohol organoheterocyclic compound azole n-substituted imidazole alcohol vinylogous amide azacycle tetrahydrofuran heteroaromatic compound cyclitol or derivatives cyclic alcohol organic pyrophosphate cyclopentanol oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hypoxanthine hydrocarbon derivative purine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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