DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:00:33 UTC
Update Date	2025-03-25 00:53:52 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02202494
Frequency	0.5
Structure
Chemical Formula	C₁₉H₂₆N₃O₁₅P₂+
Molecular Mass	598.0834
SMILES	O=C(O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4ccnc4)C(O)C3O)C(O)C2O)c1
InChI Key	GWLPUNILAPBRHY-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	pyridine nucleotides
Subclass	nicotinic acid nucleotides
Direct Parent	nicotinic acid nucleotides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	azacyclic compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives hydroxypyridines imidazole ribonucleosides and ribonucleotides imidazoles monoalkyl phosphates monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic cations organic oxides organic pyrophosphates organonitrogen compounds organopnictogen compounds oxacyclic compounds pentose phosphates pyridine-3-carboxylic acids secondary alcohols tetrahydrofurans vinylogous amides
Substituents	pyridine carboxylic acid or derivatives imidazole ribonucleoside carboxylic acid aromatic heteromonocyclic compound pentose phosphate pyridine-3-carboxylic acid monosaccharide pentose-5-phosphate carboxylic acid derivative saccharide organic oxide imidazole organonitrogen compound organopnictogen compound organic cation organoheterocyclic compound azole n-substituted imidazole alcohol vinylogous amide azacycle tetrahydrofuran heteroaromatic compound hydroxypyridine nicotinic-acid-nucleotide organic pyrophosphate oxacycle monocarboxylic acid or derivatives 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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