DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:19:18 UTC
Update Date	2025-03-21 18:36:03 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00108664
Frequency	24.7
Structure
Chemical Formula	C₁₄H₂₁N₅O₁₃P₂
Molecular Mass	529.0611
SMILES	Nc1ncnc2c1ncn2C1CC(O)C(COP(=O)(O)OP(=O)(O)OCC(O)C(O)C(=O)O)O1
InChI Key	QUYCCKJSBMGFRZ-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	alpha hydroxy acids and derivatives amino acids azacyclic compounds beta hydroxy acids and derivatives carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans
Substituents	carbonyl group carboxylic acid pentose phosphate amino acid or derivatives amino acid alpha-hydroxy acid monosaccharide imidazopyrimidine carboxylic acid derivative pyrimidine beta-hydroxy acid saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound hydroxy acid purine 2'-deoxyribonucleoside diphosphate organic pyrophosphate oxacycle monocarboxylic acid or derivatives organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative primary amine purine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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