DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:00:32 UTC
Update Date	2025-03-21 18:06:30 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00063415
Frequency	48.7
Structure
Chemical Formula	C₁₃H₂₂N₃O₁₁P₂+
Molecular Mass	458.0724
SMILES	NCCOP(=O)(O)OP(=O)(O)OCC1OC([n+]2cccc(C(N)=O)c2)C(O)C1O
InChI Key	YDUDYIHKYNIQSP-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 azacyclic compounds carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives hydroxypyridines monoalkyl phosphates monoalkylamines monosaccharides nicotinamides organic cations organic oxides organic pyrophosphates organonitrogen compounds organopnictogen compounds oxacyclic compounds pentose phosphates phosphoethanolamines primary carboxylic acid amides pyridinecarboxylic acids and derivatives secondary alcohols tetrahydrofurans vinylogous amides
Substituents	primary carboxylic acid amide pyridine carboxylic acid or derivatives aromatic heteromonocyclic compound pentose phosphate nicotinamide monosaccharide pentose-5-phosphate carboxylic acid derivative phosphoethanolamine saccharide organic oxide organonitrogen compound organopnictogen compound organic cation organoheterocyclic compound 1,2-diol 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 primary aliphatic amine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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