DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:05:49 UTC
Update Date	2025-03-21 18:29:10 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00076076
Frequency	38.8
Structure
Chemical Formula	C₁₇H₂₆NO₁₇P₂+
Molecular Mass	578.067
SMILES	O=C(O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OC3OC(CO)C(O)C(O)C3O)C(O)C2O)c1
InChI Key	NBXZQYKCKZTYOW-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 monoalkyl phosphates monocarboxylic acids and derivatives monosaccharides organic cations organic oxides organic pyrophosphates organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes pentose phosphates primary alcohols pyridine-3-carboxylic acids secondary alcohols tetrahydrofurans vinylogous amides
Substituents	pyridine carboxylic acid or derivatives carboxylic acid aromatic heteromonocyclic compound pentose phosphate pyridine-3-carboxylic acid monosaccharide pentose-5-phosphate carboxylic acid derivative saccharide organic oxide organonitrogen compound organopnictogen compound organic cation oxane primary alcohol organoheterocyclic compound 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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