DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:48:29 UTC
Update Date	2025-03-21 18:01:48 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00034895
Frequency	102.7
Structure
Chemical Formula	C₁₂H₂₀N₆O₉P₂
Molecular Mass	454.0767
SMILES	NCCOP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)CC1O
InChI Key	YUXDGGVJIFGGAM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine deoxyribonucleotides
Direct Parent	purine 2'-deoxyribonucleoside diphosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	azacyclic compounds heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monoalkylamines monosaccharides n-substituted imidazoles organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds pentose phosphates phosphoethanolamines purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans
Substituents	pentose phosphate monosaccharide imidazopyrimidine pyrimidine phosphoethanolamine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound purine 2'-deoxyribonucleoside diphosphate organic pyrophosphate oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative primary aliphatic amine primary amine purine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

Showing information for DMID00034895