DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:57:51 UTC
Update Date	2025-03-21 18:05:27 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00057072
Frequency	55.7
Structure
Chemical Formula	C₁₆H₂₅N₅O₁₅P₂
Molecular Mass	589.0822
SMILES	Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC(O)C(O)C(O)C(=O)CO)C(O)C1O
InChI Key	PLVJHIMOOWAEGE-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	acyloins alpha-hydroxy ketones azacyclic compounds beta-hydroxy ketones heteroaromatic compounds hexose phosphates hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purine ribonucleoside monophosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans
Substituents	beta-hydroxy ketone carbonyl group pentose phosphate purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine alpha-hydroxy ketone pyrimidine ketone saccharide organic oxide purine ribonucleoside diphosphate aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound organic pyrophosphate oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate acyloin secondary alcohol hexose phosphate hydrocarbon derivative purine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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