DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:56:34 UTC
Update Date	2025-03-21 18:04:59 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00054032
Frequency	59.7
Structure
Chemical Formula	C₁₀H₁₂N₅O₈P
Molecular Mass	361.0423
SMILES	Nc1ncnc2c1ncn2C1OC(C(=O)OP(=O)(O)O)C(O)C1O
InChI Key	YEUICOATHSIWRH-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 beta hydroxy acids and derivatives carbonyl compounds heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic oxides organic phosphoric acids and derivatives organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purine nucleosides 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 beta-hydroxy acid saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound azole 1,2-diol n-substituted imidazole alcohol azacycle tetrahydrofuran purine nucleoside acyl monophosphate heteroaromatic compound hydroxy acid oxacycle monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative purine primary amine organic nitrogen compound organic phosphoric acid derivative amine organooxygen compound acyl phosphate

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