DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:42:22 UTC
Update Date	2025-03-21 17:59:23 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00020600
Frequency	225.8
Structure
Chemical Formula	C₁₀H₁₃N₆O₆P
Molecular Mass	344.0634
SMILES	Nc1nc(N)c2ncn(C3OC4COP(=O)(O)OC4C3O)c2n1
InChI Key	CWMKXMVFYWWPRE-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	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 tetrahydrofurans
Substituents	pentose phosphate monosaccharide imidazopyrimidine pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound 3',5'-cyclic purine ribonucleotide 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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