DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:52:56 UTC
Update Date	2025-03-25 00:51:10 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02185172
Frequency	0.5
Structure
Chemical Formula	C₂₁H₂₉N₇O₁₇P₃+
Molecular Mass	744.0827
SMILES	NC(=O)c1cc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)OC2COP(=O)(O)O)cc1
InChI Key	CLJGBDVKANIERE-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine ribonucleotides
Direct Parent	purine ribonucleoside diphosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1,2-diols 1,3-dioxolanes acetals amino acids and derivatives azacyclic compounds carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives hydroxypyridines imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic cations organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds pentose phosphates primary amines primary carboxylic acid amides purine ribonucleoside monophosphates purines and purine derivatives pyridinecarboxylic acids and derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans
Substituents	primary carboxylic acid amide pyridine carboxylic acid or derivatives meta-dioxolane pentose phosphate amino acid or derivatives purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine carboxylic acid derivative pyrimidine saccharide organic oxide purine ribonucleoside diphosphate acetal aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound organic cation imidolactam organoheterocyclic compound azole 1,2-diol n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound hydroxypyridine carboxamide group organic pyrophosphate 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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