DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:07:53 UTC
Update Date	2025-03-25 00:34:58 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02080841
Frequency	0.6
Structure
Chemical Formula	C₃₁H₄₀N₁₂O₂₀P₃+
Molecular Mass	993.1689
SMILES	NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)c1
InChI Key	HOGSXBCIBHYLMW-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleosides
Subclass	purine nucleosides
Direct Parent	purine nucleosides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	amino acids and derivatives azacyclic compounds carboxylic acids and derivatives dialkyl ethers 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 purine ribonucleoside monophosphates purine ribonucleoside triphosphates 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 nicotinamide monosaccharide pentose-5-phosphate imidazopyrimidine dialkyl ether saccharide organonitrogen compound purine ribonucleoside triphosphate organoheterocyclic compound pyridine nucleotide alcohol vinylogous amide azacycle purine nucleoside heteroaromatic compound pyridine monoalkyl phosphate hydrocarbon derivative primary amine amine primary carboxylic acid amide ether pentose phosphate carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound organic cation imidolactam azole n-substituted imidazole 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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