DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:36:07 UTC
Update Date	2025-03-21 17:57:13 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00006410
Frequency	827.3
Structure
Chemical Formula	C₂₁H₂₈N₇O₁₅P₂+
Molecular Mass	680.1113
SMILES	NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(=O)[nH]c(N)nc54)C(O)C3O)C(O)C2O)c1
InChI Key	NCFRZZVNRVEQJK-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	pyridine nucleotides
Subclass	pyridine nucleotides
Direct Parent	pyridine nucleotides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	amino acids and derivatives azacyclic compounds carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives hydroxypyridines hypoxanthines imidazoles lactams monoalkyl phosphates monosaccharides n-substituted imidazoles nicotinamides organic cations organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds pentose phosphates primary amines primary carboxylic acid amides purine ribonucleoside diphosphates purine ribonucleoside monophosphates purines and purine derivatives pyridinecarboxylic acids and derivatives pyrimidones secondary alcohols tetrahydrofurans vinylogous amides
Substituents	pyridine carboxylic acid or derivatives lactam amino acid or derivatives purine ribonucleoside monophosphate nicotinamide monosaccharide pentose-5-phosphate imidazopyrimidine saccharide purine ribonucleoside diphosphate organonitrogen compound organoheterocyclic compound pyridine nucleotide alcohol vinylogous amide azacycle heteroaromatic compound organic pyrophosphate pyridine monoalkyl phosphate hypoxanthine 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 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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