DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:51 UTC
Update Date	2025-03-25 00:46:05 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02153146
Frequency	0.5
Structure
Chemical Formula	C₂₃H₃₄N₄O₁₇P₃+
Molecular Mass	731.1126
SMILES	NC(=O)C1=CN(C2CC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC3OC([n+]4cccc(C(N)=O)c4)C(O)C3O)C(O)C2O)C=CC1
InChI Key	SPNQOWDTNRCYPQ-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	1,2-aminoalcohols amino acids and derivatives azacyclic compounds carbonyl compounds carboxylic acids and derivatives cyclic alcohols and derivatives cyclopentanols dihydropyridines enamines heteroaromatic compounds hydrocarbon derivatives hydroxypyridines monoalkyl phosphates monosaccharides n-substituted nicotinamides organic cations organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary carboxylic acid amides pyridinecarboxylic acids and derivatives tetrahydrofurans trialkylamines vinylogous amides
Substituents	primary carboxylic acid amide pyridine carboxylic acid or derivatives carbonyl group aromatic heteromonocyclic compound pentose phosphate amino acid or derivatives nicotinamide monosaccharide pentose-5-phosphate carboxylic acid derivative saccharide organic oxide organonitrogen compound organopnictogen compound organic cation dihydropyridine tertiary amine organoheterocyclic compound pyridine nucleotide alcohol vinylogous amide azacycle 1,2-aminoalcohol tetrahydrofuran heteroaromatic compound tertiary aliphatic amine hydroxypyridine cyclic alcohol carboxamide group cyclopentanol n-substituted nicotinamide oxacycle pyridine organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound enamine

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