DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:56:09 UTC
Update Date	2025-03-25 00:52:14 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02192426
Frequency	0.5
Structure
Chemical Formula	C₂₂H₃₉N₆O₁₃P₃
Molecular Mass	688.1788
SMILES	CCCCCCC=CC(O)C(N)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1CP(=O)(O)O
InChI Key	VFZSMSQKAZQYGR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine deoxyribonucleotides
Direct Parent	purine 3'-deoxyribonucleoside diphosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	azacyclic compounds heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monoalkylamines n-substituted imidazoles organic oxides organic phosphonic acids and derivatives organic pyrophosphates organophosphorus compounds organopnictogen compounds oxacyclic compounds pentose phosphates phosphoethanolamines purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans
Substituents	pentose phosphate imidazopyrimidine pyrimidine phosphoethanolamine organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound organophosphorus compound imidolactam organophosphonic acid derivative organoheterocyclic compound azole n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound purine 3'-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

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