DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:49:04 UTC
Update Date	2025-03-21 18:02:05 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00036320
Frequency	97.5
Structure
Chemical Formula	C₁₉H₂₉N₃O₁₃P+
Molecular Mass	538.1433
SMILES	CC(=O)NC1C(OP(=O)(O)OCC2OC([n+]3cccc(C(N)=O)c3)C(O)C2O)OC(CO)C(O)C1O
InChI Key	UMVWPYZKOKFMNC-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 dialkyl phosphates heteroaromatic compounds hydrocarbon derivatives hydroxypyridines methylpyridines monosaccharides n-acyl-alpha-hexosamines nicotinamides organic cations organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes pentose phosphates primary alcohols 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 n-acyl-alpha-hexosamine saccharide organic oxide organonitrogen compound organopnictogen compound organic cation oxane primary alcohol organoheterocyclic compound acetamide pyridine nucleotide alcohol vinylogous amide azacycle tetrahydrofuran heteroaromatic compound hydroxypyridine methylpyridine carboxamide group oxacycle secondary carboxylic acid amide dialkyl phosphate pyridine organic oxygen compound phosphoric acid ester secondary alcohol hydrocarbon derivative organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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