DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:30:41 UTC
Update Date	2025-03-21 18:41:41 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00135597
Frequency	18.5
Structure
Chemical Formula	C₁₅H₂₇N₆O₁₁P₂+
Molecular Mass	529.1208
SMILES	C[N+](C)(C)CCOP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(=O)[nH]c(N)nc32)C(O)C1O
InChI Key	ZQIAQXPLQHHFLY-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 hypoxanthines imidazoles lactams 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 pyrimidones secondary alcohols tetraalkylammonium salts tetrahydrofurans vinylogous amides
Substituents	lactam pentose phosphate purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate pyrimidone imidazopyrimidine pyrimidine saccharide organic oxide purine ribonucleoside diphosphate aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound organic cation organic salt organoheterocyclic compound azole 1,2-diol n-substituted imidazole alcohol vinylogous amide tetraalkylammonium salt azacycle tetrahydrofuran quaternary ammonium salt heteroaromatic compound organic pyrophosphate phosphocholine oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hypoxanthine hydrocarbon derivative purine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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