DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 16:46:38 UTC
Update Date	2025-03-25 01:34:13 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02447774
Frequency	0.5
Structure
Chemical Formula	C₂₂H₃₀N₇O₂₂P₄+
Molecular Mass	868.0389
SMILES	NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC3(C(=O)O)OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1
InChI Key	YDFYFYQDYTTYKA-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine ribonucleotides
Direct Parent	purine ribonucleoside triphosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	amino acids azacyclic compounds beta hydroxy acids and derivatives carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives hydroxypyridines imidazoles imidolactams monoalkyl phosphates monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles nicotinamides organic cations organic oxides 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 carboxylic acid amino acid or derivatives nicotinamide monosaccharide pentose-5-phosphate imidazopyrimidine beta-hydroxy acid saccharide organonitrogen compound purine ribonucleoside triphosphate organoheterocyclic compound pyridine nucleotide alcohol vinylogous amide azacycle heteroaromatic compound pyridine monoalkyl phosphate hydrocarbon derivative primary amine amine primary carboxylic acid amide carbonyl group pentose phosphate amino acid carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound organic cation imidolactam azole n-substituted imidazole tetrahydrofuran hydroxypyridine hydroxy acid carboxamide group oxacycle monocarboxylic acid or derivatives organic oxygen compound phosphoric acid ester secondary alcohol purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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