DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:09:52 UTC
Update Date	2025-03-25 00:57:21 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02224175
Frequency	0.5
Structure
Chemical Formula	C₁₀H₁₄N₅O₁₂P₃
Molecular Mass	488.9852
SMILES	Nc1ncnc2ncn(C3OC(COP(=O)(O)OP(=O)(O)O)C4OP(=O)(O)OC43)c12
InChI Key	IHTBEXLDEAMDKR-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 dioxaphospholanes heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates n-substituted imidazoles organic oxides organic pyrophosphates organooxygen compounds organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purine 2',3'-dideoxyribonucleoside diphosphates purine ribonucleoside diphosphates purines and purine derivatives pyrimidines and pyrimidine derivatives tetrahydrofurans
Substituents	pentose phosphate imidazopyrimidine purine 2',3'-dideoxyribonucleoside diphosphate pyrimidine organic oxide purine ribonucleoside diphosphate aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound azole n-substituted imidazole azacycle tetrahydrofuran heteroaromatic compound purine 3'-deoxyribonucleoside diphosphate 1,3_dioxaphospholane organic pyrophosphate oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate hydrocarbon derivative primary amine purine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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