DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:57:48 UTC
Update Date	2025-03-25 01:15:16 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02334057
Frequency	0.5
Structure
Chemical Formula	C₂₂H₃₂N₁₀O₂₀P₄
Molecular Mass	880.0745
SMILES	N=c1[nH]c(=O)c2c(CNC3OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC4OC(n5cnc6c(N)ncnc65)C(O)C4O)C(O)C3O)c[nH]c2[nH]1
InChI Key	OHNGPUMFVSDBAC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine ribonucleotides
Direct Parent	purine ribonucleoside monophosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	azacyclic compounds dialkylamines hemiaminals heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams lactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purines and purine derivatives pyrimidones pyrroles pyrrolo[2,3-d]pyrimidines secondary alcohols tetrahydrofurans vinylogous amides
Substituents	lactam pentose phosphate purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate pyrimidone imidazopyrimidine hemiaminal pyrimidine pyrrolopyrimidine saccharide organic oxide pyrrolo[2,3-d]pyrimidine aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol vinylogous amide secondary aliphatic amine azacycle tetrahydrofuran heteroaromatic compound secondary amine oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate pyrrole secondary alcohol hydrocarbon derivative purine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

Showing information for DMID02334057