DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:43:48 UTC
Update Date	2025-03-21 17:59:53 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00023822
Frequency	164.3
Structure
Chemical Formula	C₁₀H₁₄N₅O₇P
Molecular Mass	347.0631
SMILES	Nc1ncnc2ncn(C3OC(CO)C(OP(=O)(O)O)C3O)c12
InChI Key	KNPYMNWJINPHJC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleosides
Subclass	purine nucleosides
Direct Parent	purine nucleosides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	azacyclic compounds heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles nucleoside and nucleotide analogues organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary alcohols primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans
Substituents	pentose phosphate monosaccharide imidazopyrimidine pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound primary alcohol imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol azacycle tetrahydrofuran purine nucleoside heteroaromatic compound oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative primary amine purine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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