DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:38:37 UTC
Update Date	2025-03-21 17:58:07 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00012270
Frequency	371.4
Structure
Chemical Formula	C₁₅H₂₇N₆O₁₀P₂+
Molecular Mass	513.1258
SMILES	C[N+](C)(C)CCOP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O
InChI Key	LVTDYAQGVXIDLX-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine ribonucleotides
Direct Parent	purine ribonucleoside diphosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1,2-diols azacyclic compounds heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic cations organic oxides organic pyrophosphates organic salts organopnictogen compounds oxacyclic compounds pentose phosphates phosphocholines primary amines purine ribonucleoside monophosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetraalkylammonium salts tetrahydrofurans
Substituents	pentose phosphate purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine pyrimidine saccharide organic oxide purine ribonucleoside diphosphate aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound organic cation organic salt imidolactam organoheterocyclic compound azole 1,2-diol n-substituted imidazole alcohol tetraalkylammonium salt azacycle tetrahydrofuran quaternary ammonium salt heteroaromatic compound organic pyrophosphate phosphocholine oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative purine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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