DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:17:13 UTC
Update Date	2025-03-25 01:00:00 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02240590
Frequency	0.5
Structure
Chemical Formula	C₁₃H₁₈N₂O₉P+
Molecular Mass	377.0744
SMILES	CC(=O)c1cc(C(N)=O)c[n+](C2OC(COP(=O)(O)O)C(O)C2O)c1
InChI Key	FQUOXBIYSBVXBR-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	1,2-diols aryl alkyl ketones azacyclic compounds carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives hydroxypyridines methylpyridines monoalkyl phosphates monosaccharides nicotinamides organic cations organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds pentose phosphates polyhalopyridines primary carboxylic acid amides pyridinecarboxylic acids and derivatives secondary alcohols tetrahydrofurans vinylogous amides
Substituents	primary carboxylic acid amide pyridine carboxylic acid or derivatives aryl alkyl ketone aromatic heteromonocyclic compound pentose phosphate polyhalopyridine nicotinamide monosaccharide pentose-5-phosphate carboxylic acid derivative ketone saccharide organic oxide organonitrogen compound organopnictogen compound organic cation organoheterocyclic compound 1,2-diol pyridine nucleotide alcohol vinylogous amide azacycle tetrahydrofuran heteroaromatic compound hydroxypyridine methylpyridine carboxamide group 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 aryl ketone

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