DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:00:21 UTC
Update Date	2025-03-25 00:53:48 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02202060
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₄N₅O₈P
Molecular Mass	375.058
SMILES	COc1nc2c(=O)[nH]c(N)nc2n1C1OC(CO)C2OP(=O)(O)OC21
InChI Key	XQFCOLBMTMCHIM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	cyclic purine nucleotides
Direct Parent	2',3'-cyclic purine nucleotides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alkyl aryl ethers azacyclic compounds dioxaphospholanes heteroaromatic compounds hydrocarbon derivatives hypoxanthines imidazoles lactams n-substituted imidazoles organic oxides organic phosphoric acids and derivatives organopnictogen compounds oxacyclic compounds primary alcohols primary amines purines and purine derivatives pyrimidones ribonucleoside 3'-phosphates tetrahydrofurans vinylogous amides
Substituents	ether lactam pyrimidone imidazopyrimidine alkyl aryl ether pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound primary alcohol organoheterocyclic compound azole n-substituted imidazole ribonucleoside 3'-phosphate alcohol vinylogous amide azacycle tetrahydrofuran heteroaromatic compound 1,3_dioxaphospholane oxacycle organic oxygen compound hypoxanthine hydrocarbon derivative purine primary amine organic nitrogen compound organic phosphoric acid derivative amine organooxygen compound 2',3'-cyclic purine ribonucleotide

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