DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:37 UTC
Update Date	2025-03-25 00:54:34 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02207199
Frequency	0.5
Structure
Chemical Formula	C₁₇H₂₇N₅O₁₇P₂
Molecular Mass	635.0877
SMILES	Nc1nc2c([nH]c(=O)n2C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(CO)C(O)C(O)C3O)C(O)C2O)c(=O)[nH]1
InChI Key	PWMKBNLNMRSKOW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	monosaccharides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	azacyclic compounds dialkyl ethers heteroaromatic compounds hexose phosphates hydrocarbon derivatives hypoxanthines imidazoles lactams monoalkyl phosphates n-substituted imidazoles organic carbonic acids and derivatives organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds oxanes pentose phosphates primary alcohols primary amines purine ribonucleoside diphosphates purine ribonucleoside monophosphates pyrimidones secondary alcohols tetrahydrofurans vinylogous amides
Substituents	ether lactam pentose phosphate purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate pyrimidone imidazopyrimidine dialkyl ether purinone pyrimidine organic oxide purine ribonucleoside diphosphate aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound oxane primary alcohol organoheterocyclic compound azole n-substituted imidazole alcohol vinylogous amide carbonic acid derivative azacycle tetrahydrofuran heteroaromatic compound organic pyrophosphate oxacycle phosphoric acid ester monoalkyl phosphate secondary alcohol hexose phosphate hypoxanthine hydrocarbon derivative purine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate

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