DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:10:57 UTC
Update Date	2025-03-25 00:57:44 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02226535
Frequency	0.5
Structure
Chemical Formula	C₁₃H₁₉N₅O₁₂P₂
Molecular Mass	499.0505
SMILES	CC(OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C(=O)OP(=O)(O)O
InChI Key	ASUYZFUBTPAAKU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine ribonucleotides
Direct Parent	purine ribonucleoside monophosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1,2-diols acyl monophosphates amino acids and derivatives azacyclic compounds carbonyl compounds dialkyl phosphates heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans
Substituents	carbonyl group pentose phosphate amino acid or derivatives purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine carboxylic acid derivative pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound azole 1,2-diol n-substituted imidazole alcohol azacycle tetrahydrofuran acyl monophosphate heteroaromatic compound oxacycle dialkyl phosphate monocarboxylic acid or derivatives organic oxygen compound phosphoric acid ester secondary alcohol hydrocarbon derivative purine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound acyl phosphate

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