DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:30:18 UTC
Update Date	2025-03-21 18:41:31 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00134724
Frequency	18.7
Structure
Chemical Formula	C₂₂H₃₀N₇O₁₃P₂+
Molecular Mass	662.1371
SMILES	CP(=O)(OCC1OC([n+]2cccc(C(N)=O)c2)C(O)C1O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O
InChI Key	ZMROHESFKVZCMA-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	amino acids and derivatives azacyclic compounds carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives hydroxypyridines imidazoles imidolactams methylpyridines monoalkyl phosphates monosaccharides n-substituted imidazoles nicotinamides organic cations organic oxides organophosphorus compounds organopnictogen compounds oxacyclic compounds pentose phosphates phosphonic acid esters primary amines primary carboxylic acid amides purines and purine derivatives pyridinecarboxylic acids and derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans vinylogous amides
Substituents	primary carboxylic acid amide pyridine carboxylic acid or derivatives pentose phosphate amino acid or derivatives purine ribonucleoside monophosphate nicotinamide monosaccharide pentose-5-phosphate imidazopyrimidine carboxylic acid derivative pyrimidine phosphonic acid ester saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound organophosphorus compound organic cation imidolactam organophosphonic acid derivative organoheterocyclic compound azole n-substituted imidazole alcohol vinylogous amide azacycle tetrahydrofuran heteroaromatic compound hydroxypyridine methylpyridine carboxamide group oxacycle pyridine 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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