DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 09:04:29 UTC
Update Date	2025-03-24 20:09:24 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01357963
Frequency	1.0
Structure
Chemical Formula	C₂₂H₃₀N₇O₂₂P₄+
Molecular Mass	868.0389
SMILES	NC(=O)c1cc(C(=O)O)c[n+](C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1
InChI Key	JIGPTTZLPYZLJS-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	pyridine nucleotides
Subclass	nicotinic acid nucleotides
Direct Parent	nicotinic acid nucleotides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	amino acids azacyclic compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives hydroxypyridines imidazoles imidolactams monoalkyl phosphates monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles nicotinamides organic cations organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates polyhalopyridines primary amines primary carboxylic acid amides purine ribonucleoside 2',5'-bisphosphates purine ribonucleoside triphosphates purines and purine derivatives pyridine-3-carboxylic acids pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans vinylogous amides
Substituents	pyridine carboxylic acid or derivatives carboxylic acid amino acid or derivatives pyridine-3-carboxylic acid nicotinamide monosaccharide pentose-5-phosphate imidazopyrimidine saccharide purine ribonucleoside 2',5'-bisphosphate organonitrogen compound purine ribonucleoside triphosphate organoheterocyclic compound alcohol vinylogous amide azacycle heteroaromatic compound pyridine monoalkyl phosphate pyridine carboxylic acid hydrocarbon derivative primary amine amine primary carboxylic acid amide pentose phosphate amino acid polyhalopyridine carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound organic cation imidolactam azole n-substituted imidazole tetrahydrofuran hydroxypyridine carboxamide group nicotinic-acid-nucleotide oxacycle monocarboxylic acid or derivatives organic oxygen compound phosphoric acid ester secondary alcohol purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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