DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:49:15 UTC
Update Date	2025-03-21 18:02:10 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00036749
Frequency	96.1
Structure
Chemical Formula	C₁₃H₁₈N₅O₁₀P
Molecular Mass	435.0791
SMILES	Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OC(CO)C(=O)O)C(O)C1O
InChI Key	NOXWTGOJBRXRGK-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	amino acids azacyclic compounds beta hydroxy acids and derivatives carbonyl compounds carboxylic acids 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 alcohols primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols sugar acids and derivatives tetrahydrofurans
Substituents	carbonyl group carboxylic acid pentose phosphate amino acid or derivatives amino acid purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine carboxylic acid derivative pyrimidine beta-hydroxy acid saccharide organic oxide glyceric_acid aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound primary alcohol imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound hydroxy acid 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

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