DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 12:28:23 UTC
Update Date	2025-03-24 21:39:01 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01844715
Frequency	0.7
Structure
Chemical Formula	C₂₂H₃₁N₉O₂₆P₆
Molecular Mass	1022.9806
SMILES	NC(=O)c1cnc2c(c1)ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C(O)C1O
InChI Key	VKIHRNVQKZTAMH-UHFFFAOYSA-N
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	2-halopyridines amino acids and derivatives azacyclic compounds carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives hydroxypyridines imidazoles imidazopyridines imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates polyhalopyridines primary amines primary carboxylic acid amides 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 pentose phosphate amino acid or derivatives polyhalopyridine purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine imidazopyridine carboxylic acid derivative pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound 2-halopyridine imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound hydroxypyridine 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

Showing information for DMID01844715