DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:53:09 UTC
Update Date	2025-03-25 00:51:14 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02185649
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₇N₆O₇P
Molecular Mass	388.0896
SMILES	Nc1nc(NCCO)nc2c1ncn2C1OC2COP(=O)(O)OC2C1O
InChI Key	QPUUEXVVKULWPH-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	alkanolamines azacyclic compounds heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monosaccharides n-substituted imidazoles organic oxides organic phosphoric acids and derivatives organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary alkylarylamines tetrahydrofurans
Substituents	pentose phosphate monosaccharide imidazopyrimidine pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound alkanolamine azole n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound 3',5'-cyclic purine ribonucleotide secondary amine secondary aliphatic/aromatic amine oxacycle organic oxygen compound secondary alcohol hydrocarbon derivative purine primary amine organic nitrogen compound organic phosphoric acid derivative amine organooxygen compound

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