DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:13:16 UTC
Update Date	2025-03-21 18:33:01 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00093877
Frequency	29.7
Structure
Chemical Formula	C₁₈H₂₅N₇O₁₁P₂
Molecular Mass	577.1087
SMILES	Cc1ncc(COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)c(CN)c1O
InChI Key	NSVWKDBDPNMALM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine ribonucleotides
Direct Parent	purine ribonucleoside diphosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1,2-diols 2-halopyridines azacyclic compounds heteroaromatic compounds hydrocarbon derivatives hydroxypyridines imidazoles imidolactams monoalkyl phosphates monoalkylamines monosaccharides n-substituted imidazoles organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds pentose phosphates polyhalopyridines purine ribonucleoside monophosphates purines and purine derivatives pyridoxamine 5'-phosphates pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans
Substituents	pentose phosphate polyhalopyridine purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine pyrimidine saccharide organic oxide purine ribonucleoside diphosphate aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound 2-halopyridine imidolactam organoheterocyclic compound azole 1,2-diol n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound hydroxypyridine organic pyrophosphate pyridoxamine 5'-phosphate oxacycle pyridine organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative purine primary aliphatic amine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

Showing information for DMID00093877