DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:26:58 UTC
Update Date	2025-03-21 18:39:43 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00126964
Frequency	20.1
Structure
Chemical Formula	C₁₁H₁₈N₅O₁₃P₃
Molecular Mass	521.0114
SMILES	Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(COP(=O)(O)O)C1O
InChI Key	YHHGTAYJWQHITI-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 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	pentose phosphate imidazopyrimidine pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam 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 amine purine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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