DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:10:27 UTC
Update Date	2025-03-21 18:31:42 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00087147
Frequency	32.7
Structure
Chemical Formula	C₁₇H₂₈N₂O₁₈P₃+
Molecular Mass	641.0544
SMILES	NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(CO)C(OP(=O)(O)O)C3O)C(O)C2O)c1
InChI Key	DCNVCRCFEXYRSL-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 dialkyl ethers heteroaromatic compounds hydrocarbon derivatives hydroxypyridines monoalkyl phosphates monosaccharides nicotinamides organic cations organic oxides organic pyrophosphates organonitrogen compounds organopnictogen compounds oxacyclic compounds pentose phosphates primary alcohols primary carboxylic acid amides pyridinecarboxylic acids and derivatives secondary alcohols tetrahydrofurans vinylogous amides
Substituents	primary carboxylic acid amide pyridine carboxylic acid or derivatives ether aromatic heteromonocyclic compound pentose phosphate nicotinamide monosaccharide pentose-5-phosphate carboxylic acid derivative dialkyl ether saccharide organic oxide organonitrogen compound organopnictogen compound organic cation primary alcohol organoheterocyclic compound pyridine nucleotide alcohol vinylogous amide 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

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