DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:39:21 UTC
Update Date	2025-03-21 17:58:22 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00013961
Frequency	323.8
Structure
Chemical Formula	C₂₀H₂₇N₄O₁₅P₂+
Molecular Mass	625.0943
SMILES	NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4ccc(=O)[nH]c4=O)CC3O)C(O)C2O)c1
InChI Key	GSUINHBWGDXCPM-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	azacyclic compounds carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives hydroxypyridines lactams monoalkyl phosphates monosaccharides nicotinamides organic carbonic acids and derivatives organic cations organic oxides organic pyrophosphates organonitrogen compounds organopnictogen compounds oxacyclic compounds pentose phosphates primary carboxylic acid amides pyridinecarboxylic acids and derivatives pyrimidones secondary alcohols tetrahydrofurans vinylogous amides
Substituents	primary carboxylic acid amide pyridine carboxylic acid or derivatives lactam aromatic heteromonocyclic compound pentose phosphate nicotinamide monosaccharide pentose-5-phosphate pyrimidone carboxylic acid derivative pyrimidine saccharide organic oxide organonitrogen compound organopnictogen compound organic cation organoheterocyclic compound pyridine nucleotide alcohol vinylogous amide carbonic acid derivative azacycle tetrahydrofuran heteroaromatic compound hydroxypyridine carboxamide group organic pyrophosphate oxacycle pyridine organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

Showing information for DMID00013961