DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 16:40:31 UTC
Update Date	2025-03-25 01:31:42 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02433344
Frequency	0.5
Structure
Chemical Formula	C₃₀H₄₀N₉O₂₅P₄+
Molecular Mass	1050.108
SMILES	NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(OCC3OC(n4ccc(=O)[nH]c4=O)C(O)C3O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1
InChI Key	DRVJTNVVKSKYMS-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 and derivatives azacyclic compounds carboxylic acids and derivatives dialkyl phosphates heteroaromatic compounds hydrocarbon derivatives hydroxypyridines imidazoles imidolactams lactams monoalkyl phosphates monosaccharides n-substituted imidazoles nicotinamides organic carbonic acids and derivatives organic cations organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary amines primary carboxylic acid amides purine ribonucleoside 2',5'-bisphosphates purines and purine derivatives pyridine nucleotides pyridinecarboxylic acids and derivatives pyrimidine ribonucleoside triphosphates pyrimidones secondary alcohols tetrahydrofurans vinylogous amides
Substituents	pyridine carboxylic acid or derivatives pyrimidine ribonucleoside triphosphate lactam amino acid or derivatives nicotinamide monosaccharide pentose-5-phosphate imidazopyrimidine saccharide purine ribonucleoside 2',5'-bisphosphate 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 pentose phosphate pyrimidone carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound organic cation imidolactam azole n-substituted imidazole carbonic acid derivative tetrahydrofuran hydroxypyridine carboxamide group oxacycle dialkyl phosphate organic oxygen compound phosphoric acid ester secondary alcohol purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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