DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 08:58:56 UTC
Update Date	2025-03-24 20:07:16 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01344868
Frequency	1.0
Structure
Chemical Formula	C₂₂H₃₀Cl₂N₇O₁₉P₄+
Molecular Mass	889.9918
SMILES	NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)C(Cl)(Cl)P(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)c1
InChI Key	POAFSJWSIFCAAN-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	alkyl chlorides amino acids and derivatives azacyclic compounds bisphosphonates carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives hydroxypyridines imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles nicotinamides organic cations organic oxides organochlorides organophosphorus compounds organopnictogen compounds oxacyclic compounds pentose phosphates primary amines primary carboxylic acid amides purines and purine derivatives pyridine nucleotides pyridinecarboxylic acids and derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans vinylogous amides
Substituents	pyridine carboxylic acid or derivatives amino acid or derivatives purine ribonucleoside monophosphate alkyl chloride organochloride nicotinamide monosaccharide pentose-5-phosphate imidazopyrimidine saccharide organonitrogen compound organophosphorus compound organophosphonic acid derivative organoheterocyclic compound pyridine nucleotide alcohol vinylogous amide azacycle heteroaromatic compound pyridine monoalkyl phosphate hydrocarbon derivative primary amine amine primary carboxylic acid amide pentose phosphate carboxylic acid derivative organohalogen compound pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound alkyl halide organic cation imidolactam azole n-substituted imidazole bisphosphonate tetrahydrofuran hydroxypyridine carboxamide group oxacycle organic oxygen compound phosphoric acid ester secondary alcohol purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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