DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 12:02:55 UTC
Update Date	2025-03-24 21:27:20 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01784081
Frequency	0.7
Structure
Chemical Formula	C₁₉H₃₄N₃O₂₈P₆+
Molecular Mass	937.9749
SMILES	CC(=O)NC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)OP(=O)(O)OCC1OC([n+]2cccc(C(N)=O)c2)C(O)C1O
InChI Key	YKQBZOWTWLMLNU-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-diols acetamides azacyclic compounds carbonyl compounds carboxylic acids and derivatives cyclitols 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 1,2-diol pyridine nucleotide alcohol vinylogous amide azacycle tetrahydrofuran heteroaromatic compound hydroxypyridine methylpyridine cyclitol or derivatives 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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