DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:42:31 UTC
Update Date	2025-03-21 17:59:26 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00020966
Frequency	191.8
Structure
Chemical Formula	C₁₅H₂₆N₆O₇P+
Molecular Mass	433.1595
SMILES	C[N+](C)(C)CCOP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O
InChI Key	YRWLALOXFZERNQ-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine ribonucleotides
Direct Parent	purine ribonucleoside monophosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1,2-diols azacyclic compounds dialkyl phosphates heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monosaccharides n-substituted imidazoles organic cations organic oxides organic salts 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 purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine pyrimidine saccharide organic oxide 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 phosphocholine oxacycle dialkyl phosphate organic oxygen compound phosphoric acid ester secondary alcohol hydrocarbon derivative purine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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