DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:27:15 UTC
Update Date	2025-03-21 18:39:53 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00127661
Frequency	20.0
Structure
Chemical Formula	C₁₂H₁₄N₅O₇P
Molecular Mass	371.0631
SMILES	CC(=O)Nc1ncnc2c1ncn2C1OC2COP(=O)(O)OC2C1O
InChI Key	IUFRULLKCUPWRP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	cyclic purine nucleotides
Direct Parent	3',5'-cyclic purine nucleotides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	acetamides azacyclic compounds carbonyl compounds carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monosaccharides n-acetylarylamines n-substituted imidazoles organic oxides organic phosphoric acids and derivatives organopnictogen compounds oxacyclic compounds pentose phosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides tetrahydrofurans
Substituents	carbonyl group n-acetylarylamine pentose phosphate monosaccharide n-arylamide imidazopyrimidine carboxylic acid derivative pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound acetamide azole n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound 3',5'-cyclic purine ribonucleotide carboxamide group oxacycle secondary carboxylic acid amide organic oxygen compound secondary alcohol hydrocarbon derivative purine organic nitrogen compound organic phosphoric acid derivative organooxygen compound

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