DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:14:29 UTC
Update Date	2025-03-21 18:33:38 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00096786
Frequency	28.5
Structure
Chemical Formula	C₁₆H₃₀N₆O₁₂P₃+
Molecular Mass	591.1129
SMILES	C[N+](C)(C)CCOP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1CP(=O)(O)O
InChI Key	ISIAUIMKHNHRIO-UHFFFAOYSA-O
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 cations organic oxides organic phosphonic acids and derivatives organic pyrophosphates organic salts organophosphorus compounds organopnictogen compounds oxacyclic compounds pentose phosphates phosphocholines primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetraalkylammonium salts tetrahydrofurans
Substituents	pentose phosphate imidazopyrimidine pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound organophosphorus compound organic cation organic salt imidolactam organophosphonic acid derivative organoheterocyclic compound azole n-substituted imidazole alcohol tetraalkylammonium salt azacycle tetrahydrofuran quaternary ammonium salt heteroaromatic compound purine 3'-deoxyribonucleoside diphosphate organic pyrophosphate phosphocholine 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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