DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:19:03 UTC
Update Date	2025-03-25 01:00:49 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02244910
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₉N₅O₁₁P₂
Molecular Mass	471.0556
SMILES	CCOP(=O)(O)OCC1OC(n2cnc3c(=O)[nH]c(N)nc32)C(O)C1OP(=O)(O)O
InChI Key	SGVHVBWOKMDNDK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine ribonucleotides
Direct Parent	purine ribonucleoside 3',5'-bisphosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	azacyclic compounds dialkyl phosphates heteroaromatic compounds hydrocarbon derivatives hypoxanthines imidazoles lactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purine ribonucleoside monophosphates purines and purine derivatives pyrimidones ribonucleoside 3'-phosphates secondary alcohols tetrahydrofurans vinylogous amides
Substituents	lactam pentose phosphate purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate pyrimidone imidazopyrimidine pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound organoheterocyclic compound azole n-substituted imidazole purine ribonucleoside 3',5'-bisphosphate ribonucleoside 3'-phosphate alcohol vinylogous amide azacycle tetrahydrofuran heteroaromatic compound oxacycle dialkyl phosphate organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hypoxanthine hydrocarbon derivative purine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

Showing information for DMID02244910