DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:43:54 UTC
Update Date	2025-03-21 17:59:55 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00024077
Frequency	162.3
Structure
Chemical Formula	C₂₁H₃₀N₇O₁₉P₄+
Molecular Mass	808.0541
SMILES	NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)CC3O)C(O)C2O)c1
InChI Key	CLFFOFYRYBCWHA-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine deoxyribonucleotides
Direct Parent	purine 2'-deoxyribonucleoside polyphosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	amino acids and derivatives azacyclic compounds carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives hydroxypyridines imidazoles imidolactams monoalkyl phosphates 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	primary carboxylic acid amide pyridine carboxylic acid or derivatives pentose phosphate amino acid or derivatives nicotinamide monosaccharide pentose-5-phosphate imidazopyrimidine purine 2'-deoxyribonucleoside polyphosphate carboxylic acid derivative pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound organic cation imidolactam organoheterocyclic compound azole n-substituted imidazole pyridine nucleotide alcohol vinylogous amide azacycle tetrahydrofuran heteroaromatic compound hydroxypyridine carboxamide group oxacycle pyridine organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative primary amine purine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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