DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:26:37 UTC
Update Date	2025-03-21 18:39:31 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00126112
Frequency	20.3
Structure
Chemical Formula	C₂₆H₃₁N₉O₁₃P₂
Molecular Mass	739.1517
SMILES	Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)CC3O)c2cc1C
InChI Key	CKRGLCJRCHVMBX-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 benzenoids diazanaphthalenes flavins heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams lactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic carbonic acids and derivatives organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purines and purine derivatives pyrazines pyrimidones quinoxalines secondary alcohols tetrahydrofurans
Substituents	lactam pentose phosphate monosaccharide pyrimidone imidazopyrimidine pteridine isoalloxazine flavin pyrimidine saccharide organic oxide diazanaphthalene aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol quinoxaline carbonic acid derivative azacycle tetrahydrofuran heteroaromatic compound purine 2'-deoxyribonucleoside diphosphate organic pyrophosphate oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate pyrazine secondary alcohol hydrocarbon derivative benzenoid primary amine purine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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