DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:49:03 UTC
Update Date	2025-03-21 18:02:05 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00036285
Frequency	97.6
Structure
Chemical Formula	C₁₃H₁₉N₅O₁₂P₂
Molecular Mass	499.0505
SMILES	Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC(O)C=O)C(O)C1O
InChI Key	LSHSKCKLIOEASM-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	alpha-hydroxyaldehydes azacyclic compounds glyceraldehyde-3-phosphates heteroaromatic compounds 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	carbonyl group pentose phosphate purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine pyrimidine saccharide organic oxide alpha-hydroxyaldehyde purine ribonucleoside diphosphate glyceraldehyde-3-phosphate aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound aldehyde organic pyrophosphate oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative purine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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