DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:05:11 UTC
Update Date	2025-03-21 18:28:53 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00074590
Frequency	39.8
Structure
Chemical Formula	C₁₈H₂₈N₃O₁₅P₂+
Molecular Mass	588.099
SMILES	CC(=O)NC1OC(COP(=O)(O)OP(=O)(O)OCC2OC([n+]3cccc(C(N)=O)c3)C(O)C2O)C(O)C1O
InChI Key	WQSNUWRXZNSGAS-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 heteromonocyclic compounds
Alternative Parents	acetamides azacyclic compounds carbonyl compounds carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives hydroxypyridines methylpyridines monoalkyl phosphates monosaccharides nicotinamides organic cations organic oxides organic pyrophosphates organonitrogen compounds organopnictogen compounds oxacyclic compounds pentose phosphates primary carboxylic acid amides pyridinecarboxylic acids and derivatives secondary alcohols secondary carboxylic acid amides tetrahydrofurans vinylogous amides
Substituents	primary carboxylic acid amide pyridine carboxylic acid or derivatives carbonyl group aromatic heteromonocyclic compound pentose phosphate nicotinamide monosaccharide pentose-5-phosphate carboxylic acid derivative saccharide organic oxide organonitrogen compound organopnictogen compound organic cation organoheterocyclic compound acetamide pyridine nucleotide alcohol vinylogous amide azacycle tetrahydrofuran heteroaromatic compound hydroxypyridine methylpyridine carboxamide group organic pyrophosphate oxacycle secondary carboxylic acid amide pyridine organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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