DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:22:26 UTC
Update Date	2025-03-25 01:01:56 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02252669
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₃N₆O₇P
Molecular Mass	372.0583
SMILES	NC(=O)c1nc(N)c2ncn(C3OC4COP(=O)(O)OC4C3O)c2n1
InChI Key	QLOVGONOAGZCAO-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	2-heteroaryl carboxamides amino acids and derivatives azacyclic compounds carboxylic acids and derivatives 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 primary carboxylic acid amides purines and purine derivatives pyrimidinecarboxylic acids and derivatives secondary alcohols tetrahydrofurans
Substituents	primary carboxylic acid amide pentose phosphate amino acid or derivatives monosaccharide imidazopyrimidine carboxylic acid derivative 2-heteroaryl carboxamide 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 carboxamide group oxacycle organic oxygen compound secondary alcohol hydrocarbon derivative purine primary amine organic nitrogen compound organic phosphoric acid derivative pyrimidine-2-carboxylic acid or derivatives amine organooxygen compound

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