DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:51:16 UTC
Update Date	2025-03-21 18:02:59 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00041536
Frequency	82.7
Structure
Chemical Formula	C₂₀H₂₆N₃O₁₇P₂+
Molecular Mass	642.0732
SMILES	O=C(O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4ccc(=O)[nH]c4=O)C(O)C3O)C(O)C2O)c1
InChI Key	VSNZBAPOCARYGR-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 heteroaromatic compounds hydrocarbon derivatives hydroxypyridines lactams monoalkyl phosphates monocarboxylic acids and derivatives monosaccharides nicotinic acid nucleotides organic carbonic acids and derivatives organic cations organic oxides organic pyrophosphates organonitrogen compounds organopnictogen compounds oxacyclic compounds pentose phosphates pyridine-3-carboxylic acids pyrimidine ribonucleoside diphosphates pyrimidones secondary alcohols tetrahydrofurans vinylogous amides
Substituents	pyridine carboxylic acid or derivatives lactam carboxylic acid aromatic heteromonocyclic compound pentose phosphate pyridine-3-carboxylic acid 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 nicotinic-acid-nucleotide organic pyrophosphate oxacycle monocarboxylic acid or derivatives pyrimidine ribonucleoside diphosphate pyridine organic oxygen compound phosphoric acid ester monoalkyl phosphate pyridine carboxylic acid secondary alcohol hydrocarbon derivative organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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