DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:09:41 UTC
Update Date	2025-03-25 00:57:17 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02223756
Frequency	0.5
Structure
Chemical Formula	C₂₂H₃₀N₉O₁₄P₂+
Molecular Mass	706.1382
SMILES	NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N=C(N)N)ncnc54)C(O)C3O)C(O)C2O)c1
InChI Key	RLPNSKYQEMBHBA-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	azacyclic compounds carboxylic acids and derivatives guanidines heteroaromatic compounds hydrocarbon derivatives hydroxypyridines imidazoles monoalkyl phosphates monosaccharides n-substituted imidazoles nicotinamides organic cations organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds pentose phosphates primary carboxylic acid amides purine ribonucleoside diphosphates purine ribonucleoside monophosphates purines and purine derivatives pyridinecarboxylic acids and derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans vinylogous amides
Substituents	primary carboxylic acid amide pyridine carboxylic acid or derivatives pentose phosphate guanidine purine ribonucleoside monophosphate nicotinamide monosaccharide pentose-5-phosphate imidazopyrimidine carboxylic acid derivative pyrimidine saccharide organic oxide purine ribonucleoside diphosphate aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound organic cation organoheterocyclic compound azole n-substituted imidazole pyridine nucleotide alcohol vinylogous amide azacycle tetrahydrofuran heteroaromatic compound hydroxypyridine carboxamide group organic pyrophosphate oxacycle pyridine organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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