DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:44:56 UTC
Update Date	2025-03-25 00:48:13 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02166916
Frequency	0.5
Structure
Chemical Formula	C₁₅H₂₃NO₉P+
Molecular Mass	392.1105
SMILES	CC(C)(C)c1cc(C(=O)O)c[n+](C2OC(COP(=O)(O)O)C(O)C2O)c1
InChI Key	RMLXVDIANSWUKX-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	1,2-diols azacyclic compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives hydroxypyridines methylpyridines monoalkyl phosphates monocarboxylic acids and derivatives monosaccharides organic cations organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds pentose phosphates polyhalopyridines 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 polyhalopyridine monosaccharide pentose-5-phosphate carboxylic acid derivative saccharide organic oxide organonitrogen compound organopnictogen compound organic cation organoheterocyclic compound 1,2-diol alcohol vinylogous amide azacycle tetrahydrofuran heteroaromatic compound hydroxypyridine methylpyridine nicotinic-acid-nucleotide 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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